data_2lhi_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 2lhi _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.432 -0.21 . . . . 73.219999999999999 110.432 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -46.68 -38.95 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 75.439999999999998 110.303 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -68.07 -36.48 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 71.099999999999994 110.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -64.55 -31.17 72.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 74.299999999999997 110.338 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.11 -20.67 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 73.409999999999997 109.286 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.39 -12.39 54.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 109.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -76.86 -67.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 73.340000000000003 110.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.448 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 38.7 m-85 -44.49 -25.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 73.209999999999994 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.587 ' CG ' ' CE1' ' A' ' 65' ' ' PHE . 23.5 mttt -53.57 -45.97 70.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 75.319999999999993 109.321 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 461' ' ' LYS . 26.3 mm-40 -63.78 -44.33 93.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 72.209999999999994 110.252 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.495 ' O ' ' CZ ' ' A' ' 68' ' ' PHE . . . -65.96 -15.27 62.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 74.25 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.609 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.2 t80 -81.93 -44.81 16.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 110.95 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.57 -27.34 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.239999999999995 109.28 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 93.5 mt -40.33 -40.53 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 74.040000000000006 109.29 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.541 ' CE2' ' HB ' ' A' ' 35' ' ' VAL . 5.2 m-85 -113.14 -53.47 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.41 1.069 . . . . 63.329999999999998 110.967 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.609 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -51.88 95.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 75.25 109.329 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 19' ' ' PHE . 5.1 mmtp -75.87 -67.06 0.71 Allowed 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.642 1.687 . . . . 74.239999999999995 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -69.38 -7.33 36.52 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 117.931 -1.033 . . . . 72.150000000000006 109.973 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 49.66 62.73 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 73.340000000000003 109.307 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 24.1 p-10 -97.17 -27.5 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 74.319999999999993 109.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 112.77 33.5 2.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 73.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.79 112.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 74.040000000000006 110.024 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.558 HD12 ' CE1' ' A' ' 16' ' ' PHE . 95.8 mt -92.0 102.64 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 71.310000000000002 109.277 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 p -66.87 175.11 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 61.340000000000003 110.02 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' HG11 ' A' ' 48' ' ' VAL . 1.5 t -72.2 -28.89 63.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 109.969 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -26.13 60.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 70.310000000000002 109.987 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.509 ' O ' ' CG2' ' A' ' 34' ' ' THR . 34.5 mt-10 -90.71 -38.04 13.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 74.140000000000001 110.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -65.28 -52.63 52.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 75.329999999999998 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.427 ' N ' ' CD2' ' A' ' 32' ' ' LEU . . . -66.01 -12.13 52.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 64.519999999999996 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -69.65 -30.37 68.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 73.409999999999997 110.41 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.541 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -82.84 -64.58 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 75.120000000000005 109.269 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.52 ' HE2' ' CG ' ' A' ' 472' ' ' PHE . 74.2 mtp -40.43 -53.41 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 64.310000000000002 111.015 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -62.07 -34.34 76.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.085 . . . . 75.519999999999996 110.32 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -66.51 -26.99 67.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 63.539999999999999 109.999 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.483 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 17.2 mt -79.16 -19.74 50.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 63.229999999999997 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.14 2.46 8.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 63.140000000000001 111.014 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD1' ' HE3' ' A' ' 36' ' ' MET . 17.6 mt -81.38 -174.62 5.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 0.719 . . . . 74.430000000000007 109.278 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 52.9 p -163.84 61.36 0.95 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 71.329999999999998 110.027 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.55 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.98 136.46 20.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 71.099999999999994 111.006 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -76.29 140.33 41.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 71.129999999999995 110.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 19.6 tt0 -51.67 -27.92 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 62.43 110.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.69 -49.62 75.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 73.510000000000005 109.299 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 49' ' ' ASN . 1.6 mt-10 -74.76 -51.29 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 74.409999999999997 110.293 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 43' ' ' PRO . 54.5 t -40.28 -32.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 73.450000000000003 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 91.9 m-20 -72.4 -63.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 65.319999999999993 109.324 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 23.6 t0 -52.38 -21.03 3.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 72.439999999999998 109.284 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.477 ' HB2' ' CD2' ' A' ' 475' ' ' LEU . 5.3 tt -80.3 -62.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 72.299999999999997 109.309 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.0 ptm -63.2 -14.24 46.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 75.219999999999999 111.01 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -93.99 -9.96 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 72.040000000000006 109.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 14.7 mt-10 -81.88 -12.69 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 65.239999999999995 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 56' ' ' ASP . 1.8 mm -116.36 -41.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 75.400000000000006 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 3.3 t0 -39.0 120.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 74.420000000000002 109.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.1 t -81.83 -17.25 11.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 123.608 1.67 . . . . 75.019999999999996 109.271 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.3 p-10 -116.11 -7.91 11.84 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.885 -1.055 . . . . 74.099999999999994 109.976 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.37 41.44 93.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 62.299999999999997 111.017 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.435 ' ND2' ' HB2' ' A' ' 62' ' ' GLN . 29.7 p-10 -89.08 16.13 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 73.329999999999998 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.652 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 43.4 t60 61.65 29.67 18.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 75.150000000000006 109.597 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 44.0 mt-30 -155.56 149.56 25.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 71.319999999999993 110.324 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.61 129.1 54.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 71.5 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.522 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -91.97 179.35 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 64.030000000000001 110.27 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.5 t80 -76.28 -12.44 60.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 75.430000000000007 110.978 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.6 t -94.97 -41.47 9.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 73.400000000000006 110.0 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.67 -50.47 50.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 74.340000000000003 110.322 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.495 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 88.6 t80 -56.95 -39.86 75.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 75.209999999999994 110.956 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -70.41 -34.04 72.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 75.129999999999995 109.322 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -75.85 -15.88 60.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 72.109999999999999 109.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CD2' ' HE2' ' A' ' 471' ' ' MET . 20.6 tp -74.02 -46.71 41.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 70.420000000000002 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.477 ' HA ' ' CE ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -57.42 -29.24 63.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 75.099999999999994 110.998 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 p -106.09 18.78 21.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 73.129999999999995 110.047 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 1.9 tmt_? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 71.420000000000002 110.281 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.308 -0.627 . . . . 75.040000000000006 109.308 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 pp -46.67 -39.0 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 75.010000000000005 109.336 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.508 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 6.6 mm-40 -67.27 -58.34 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 75.420000000000002 110.292 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.453 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -65.26 -12.1 48.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.540000000000006 109.251 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 85' ' ' LEU . 38.9 t80 -84.49 -55.85 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 62.420000000000002 110.983 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -75.31 -2.77 29.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 72.519999999999996 109.267 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 12.6 t -94.05 -42.76 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.030000000000001 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.608 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.2 m-85 -77.2 -42.93 35.56 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.592 1.663 . . . . 64.209999999999994 111.003 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.36 97.21 0.94 Allowed 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 117.901 -1.047 . . . . 72.019999999999996 110.003 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.37 -29.09 21.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 74.049999999999997 109.293 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.468 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -78.06 -44.8 25.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.310000000000002 109.321 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.87 77.13 1.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 72.239999999999995 111.011 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.15 9.6 2.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 74.109999999999999 109.282 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 70.03 18.19 74.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 73.239999999999995 111.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.4 mt -149.96 112.54 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 74.209999999999994 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.447 ' CG2' HD23 ' A' ' 105' ' ' LEU . 54.7 mt -77.07 102.74 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 74.209999999999994 109.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 t -69.64 179.38 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 55.439999999999998 109.952 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -51.74 -66.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 61.329999999999998 109.278 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -41.31 -66.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -39.28 -29.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 71.5 110.284 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -88.3 -71.9 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 74.049999999999997 109.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -48.36 -61.19 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 73.420000000000002 109.267 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.56 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -41.8 -40.73 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.510000000000005 109.61 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.608 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -69.16 -44.07 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 73.549999999999997 109.322 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 106' ' ' LYS . 2.0 mm? -64.85 -23.08 67.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 73.150000000000006 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 m -86.54 -15.27 40.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 74.140000000000001 110.37 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.483 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -78.66 -10.24 59.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.140000000000001 110.007 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.483 ' CD1' ' HG2' ' A' ' 461' ' ' LYS . 4.3 pt -110.87 -26.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 74.540000000000006 109.262 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.99 -30.01 2.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 74.530000000000001 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' LEU . 18.3 mm-40 -65.5 115.19 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 71.010000000000005 110.258 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -111.94 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 72.299999999999997 109.342 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.468 ' CD2' ' HE2' ' A' ' 124' ' ' MET . 4.4 mp -92.86 141.93 27.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 74.5 109.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLU . 82.6 p -70.8 151.14 45.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 73.349999999999994 110.395 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -48.15 -24.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 73.099999999999994 109.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.98 -41.24 23.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.209999999999994 109.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.436 ' HB3' ' CD2' ' A' ' 116' ' ' LEU . 35.2 mm-40 -62.84 -42.85 99.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 74.049999999999997 110.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 6.4 p -69.23 -52.38 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 74.519999999999996 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.482 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 11.2 t70 -55.57 -22.09 20.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 73.430000000000007 109.235 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.27 -36.8 13.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 72.239999999999995 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.468 ' HE2' ' CD2' ' A' ' 116' ' ' LEU . 25.4 ttm -60.9 -33.45 73.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 74.019999999999996 110.976 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 129' ' ' SER . 7.6 mt -65.63 -52.31 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 62.329999999999998 109.342 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 125' ' ' LEU . 40.9 mtt180 -37.16 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 74.120000000000005 110.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 125' ' ' LEU . 13.1 mm-40 -46.26 -50.6 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 72.400000000000006 110.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 142' ' ' ALA . 23.1 m -129.91 13.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.040000000000006 109.339 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.0 p -103.1 2.93 35.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 61.109999999999999 109.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 129' ' ' SER . 38.9 t0 38.24 47.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 73.140000000000001 109.291 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.96 48.2 74.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 73.420000000000002 110.977 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 129' ' ' SER . 40.6 t -100.91 -77.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 75.420000000000002 109.949 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 154.85 -20.2 0.58 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.463 1.102 . . . . 73.109999999999999 110.985 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.2 mt-10 -143.09 165.06 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 73.140000000000001 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 9.4 pt -130.3 126.46 61.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 73.299999999999997 109.291 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -93.52 -177.69 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 109.248 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.482 HD12 ' CG ' ' A' ' 89' ' ' PHE . 5.2 tp -54.82 -18.6 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 75.120000000000005 109.322 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -87.3 -57.56 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 75.439999999999998 110.292 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 142' ' ' ALA . 24.7 mt-30 -65.45 -54.6 26.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 61.140000000000001 110.269 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.44 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 26.0 t80 -47.99 -34.07 8.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 75.120000000000005 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.482 ' CB ' ' HG ' ' A' ' 85' ' ' LEU . . . -76.79 -28.97 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 74.010000000000005 109.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.491 ' HB3' ' CG1' ' A' ' 128' ' ' VAL . . . -60.83 -15.17 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 73.120000000000005 109.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.461 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 1.2 mt -79.72 -65.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 55.5 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.423 HD12 ' CD2' ' A' ' 85' ' ' LEU . 4.8 mt -50.82 -21.76 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 65.340000000000003 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 74.329999999999998 109.992 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 458' ' ' LEU . 27.4 mmt180 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.299 -0.26 . . . . 74.430000000000007 110.299 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -24.89 3.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 74.400000000000006 109.368 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.95 -26.84 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 73.530000000000001 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 455' ' ' ARG . 0.9 OUTLIER -67.19 -43.57 81.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 74.129999999999995 109.294 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 459' ' ' ARG . 5.6 ptp180 -80.65 -24.96 38.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 72.349999999999994 110.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.435 ' HA ' ' CD2' ' A' ' 463' ' ' LEU . 15.7 t30 -59.43 -29.74 67.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 73.510000000000005 109.328 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.483 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -58.21 -26.9 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 73.549999999999997 109.279 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 92' ' ' PHE . 14.8 mt -87.14 -32.08 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 73.540000000000006 109.285 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 460' ' ' ASN . 0.6 OUTLIER -51.79 -44.33 63.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 72.310000000000002 109.293 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.47 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -75.01 -59.6 2.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.329999999999998 109.282 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.478 HG21 ' CD1' ' A' ' 39' ' ' LEU . 13.1 mt -41.17 -30.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 65.439999999999998 109.321 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -86.93 -67.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 70.409999999999997 109.266 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.477 ' CE ' ' HA ' ' A' ' 72' ' ' MET . 29.4 mtpt -48.12 -62.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 74.099999999999994 109.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 464' ' ' ALA . 51.9 t -47.14 -44.75 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 73.230000000000004 109.29 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 24.7 t -67.24 -27.66 67.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 71.329999999999998 110.001 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.2 OUTLIER -81.65 -25.1 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.549999999999997 110.316 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.462 ' HE2' ' CD2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -61.95 -26.21 68.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 111.01 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 31.8 t80 -75.43 -21.76 57.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 73.310000000000002 111.008 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -89.02 -11.11 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.140000000000001 110.012 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 48.8 t -101.45 -49.27 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -38.37 -37.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.150000000000006 109.309 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 75.109999999999999 110.314 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.392 -0.225 . . . . 74.510000000000005 110.392 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.32 -25.62 59.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 75.140000000000001 110.273 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -79.77 -21.91 43.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 72.420000000000002 110.344 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.402 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 11.5 mm100 -81.97 -29.22 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 65.120000000000005 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.491 HG21 ' CZ ' ' A' ' 65' ' ' PHE . 3.4 mm -65.74 -30.9 51.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 109.303 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.52 -12.38 61.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 51.520000000000003 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 12.2 mm-40 -75.71 -68.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 74.510000000000005 110.293 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.479 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 45.6 m-85 -47.21 -23.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 75.040000000000006 111.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 1.1 mttt -52.44 -42.0 63.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 74.530000000000001 109.319 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.65 -59.63 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 74.150000000000006 110.303 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -51.97 -23.61 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 74.329999999999998 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 1.7 t80 -74.51 -39.62 62.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 73.340000000000003 110.97 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.67 -18.04 51.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 75.530000000000001 109.33 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.494 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 40.3 mt -56.33 -43.76 79.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 74.430000000000007 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.532 ' CZ ' HG12 ' A' ' 468' ' ' VAL . 17.9 m-85 -104.79 -47.59 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 74.319999999999993 110.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.601 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -60.08 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 62.329999999999998 109.267 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' PHE . 41.7 mmtt -61.08 -67.26 0.42 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.629 1.681 . . . . 75.540000000000006 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.87 -13.7 60.27 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.896 -1.049 . . . . 73.030000000000001 109.992 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 59.24 58.73 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 72.430000000000007 109.285 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.5 p30 -91.92 -22.89 19.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 65.5 109.321 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.21 32.74 2.93 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 65.519999999999996 110.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 p -168.76 112.08 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.757 . . . . 73.450000000000003 109.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.552 HD12 ' CE1' ' A' ' 16' ' ' PHE . 43.7 mt -92.27 101.56 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 74.450000000000003 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -67.81 163.25 22.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 71.420000000000002 110.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.463 ' CB ' HG11 ' A' ' 48' ' ' VAL . 1.5 t -59.1 -18.07 32.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.340000000000003 109.958 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.34 -20.85 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 62.200000000000003 109.989 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 34' ' ' THR . 44.1 mt-10 -90.56 -35.98 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 75.140000000000001 110.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' CD2' HG12 ' A' ' 48' ' ' VAL . 2.9 tt -68.51 -46.79 68.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 74.299999999999997 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.87 -12.43 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 62.030000000000001 109.281 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -69.68 -24.49 63.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 72.409999999999997 110.382 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.0 t -91.36 -59.46 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 64.129999999999995 109.267 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.45 ' HE2' ' CG ' ' A' ' 472' ' ' PHE . 85.3 mtp -42.79 -57.37 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 72.109999999999999 111.015 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -57.37 -26.76 61.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 75.019999999999996 110.326 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' VAL . 1.4 t -76.35 -29.19 57.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 74.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 15.0 mt -76.97 -20.73 55.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 109.31 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.09 2.71 8.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 65.230000000000004 111.009 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.9 mt -80.43 -177.16 6.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 73.019999999999996 109.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 92.0 p -162.57 60.39 1.03 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 63.329999999999998 110.018 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.99 154.82 42.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 74.230000000000004 111.0 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -94.97 139.89 30.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 72.430000000000007 110.025 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.5 tt0 -46.3 -27.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 75.129999999999995 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.94 -47.54 74.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 72.239999999999995 109.309 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -75.1 -51.86 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 73.329999999999998 110.319 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.463 HG11 ' CB ' ' A' ' 29' ' ' SER . 52.5 t -39.96 -30.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 109.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' ASN . 89.7 m-20 -77.88 -63.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 72.140000000000001 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -48.07 -23.15 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 73.329999999999998 109.277 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.4 tm? -76.38 -59.42 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 71.319999999999993 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.442 ' HB2' ' CD1' ' A' ' 63' ' ' ILE . 9.4 ptm -74.33 -4.11 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 61.329999999999998 111.022 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.6 m-80 -90.15 -8.15 51.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 62.310000000000002 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.65 -6.02 41.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 71.310000000000002 110.33 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.46 HD11 ' CD1' ' A' ' 71' ' ' LEU . 2.0 mm -117.65 -41.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 72.329999999999998 109.314 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 2.9 t0 -39.21 119.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 74.209999999999994 109.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 64.6 t -91.7 -13.22 8.95 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 CA-C-O 123.632 1.682 . . . . 75.200000000000003 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.1 p30 -117.46 -6.89 11.19 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.909 -1.043 . . . . 73.420000000000002 110.009 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.27 42.46 88.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 72.430000000000007 111.004 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.418 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 35.0 p-10 -93.84 12.97 24.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 75.120000000000005 109.309 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.658 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 31.3 t60 64.79 28.25 12.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 109.576 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.435 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 41.8 mt-30 -152.13 174.69 13.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 64.430000000000007 110.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -122.8 128.83 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -93.46 172.99 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 73.409999999999997 110.288 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.569 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 3.3 t80 -74.05 -12.37 60.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 110.98 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.4 t -90.6 -45.63 8.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.209999999999994 109.993 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 11.6 mt-10 -69.36 -52.16 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 74.120000000000005 110.278 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.4 ' O ' ' HB3' ' A' ' 71' ' ' LEU . 87.8 t80 -52.83 -44.38 66.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.439999999999998 111.011 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.79 -34.29 75.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 74.420000000000002 109.255 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.37 62.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 71.209999999999994 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 55' ' ' ILE . 6.0 tp -62.7 -52.97 61.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 70.340000000000003 109.316 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -59.81 -13.34 10.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 74.549999999999997 110.975 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.3 t -126.46 29.42 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 65.219999999999999 110.003 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.120000000000005 110.318 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD1' ' CB ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.242 -0.651 . . . . 73.349999999999994 109.242 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -58.58 -35.8 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 60.219999999999999 109.291 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.416 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 5.5 mm-40 -70.23 -56.58 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 65.120000000000005 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.482 ' HA ' ' CG1' ' A' ' 91' ' ' VAL . . . -63.0 -15.46 56.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 73.349999999999994 109.255 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 26.5 t80 -81.99 -42.61 19.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 70.109999999999999 110.96 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -82.35 -23.24 35.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 74.340000000000003 109.309 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -74.19 -44.08 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.430000000000007 109.301 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 1.7 m-85 -67.93 -38.64 83.12 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.609 1.671 . . . . 74.409999999999997 110.977 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.76 103.83 3.78 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.896 -1.049 . . . . 64.099999999999994 109.972 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 -34.64 19.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 74.219999999999999 109.318 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.25 -45.98 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 109.269 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.24 78.64 1.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 72.239999999999995 111.007 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.58 11.53 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 75.200000000000003 109.265 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.498 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 70.44 18.41 75.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 111.007 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.5 mt -150.02 110.84 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 74.209999999999994 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.434 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 53.5 mt -74.95 102.98 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 74.230000000000004 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.0 t -68.07 175.99 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 64.349999999999994 109.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -48.45 -69.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 74.109999999999999 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.47 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -42.57 -64.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 74.299999999999997 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -39.3 -28.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 73.340000000000003 110.302 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.451 ' N ' ' C ' ' A' ' 103' ' ' ALA . 3.3 tp -91.27 -72.4 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 74.439999999999998 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.471 ' HG2' ' CG2' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.9 -61.01 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 74.230000000000004 109.303 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.55 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.67 -42.94 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 63.149999999999999 109.546 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.598 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.2 t -65.85 -42.2 91.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 71.120000000000005 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 106' ' ' LYS . 3.3 mm? -69.65 -20.79 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 72.209999999999994 109.318 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.5 m -84.24 -12.7 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 73.299999999999997 110.385 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.487 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -82.11 -6.92 59.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 74.140000000000001 109.957 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 461' ' ' LYS . 10.3 pt -112.18 -32.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 74.25 109.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.47 -31.44 0.94 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 70.329999999999998 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.422 ' HG3' ' CD ' ' A' ' 461' ' ' LYS . 5.1 mm-40 -63.67 104.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 73.230000000000004 110.31 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -102.64 91.9 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.129999999999995 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 60.8 mt -104.57 141.8 35.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 72.200000000000003 109.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.5 p -76.13 -174.61 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 70.439999999999998 110.387 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -76.98 -18.2 58.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 63.240000000000002 109.311 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.72 -37.12 14.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 64.409999999999997 109.324 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -71.24 -31.37 67.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.120000000000005 110.285 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 106' ' ' LYS . 9.0 p -83.87 -52.02 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 74.530000000000001 109.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.464 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 6.8 t70 -52.42 -20.87 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 74.019999999999996 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -90.62 -28.67 18.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 72.140000000000001 109.309 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 121' ' ' VAL . 21.5 ttm -73.87 -32.53 63.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 73.450000000000003 110.985 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 127' ' ' GLU . 8.6 mt -65.02 -53.83 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 74.549999999999997 109.306 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.411 ' HA ' ' OG ' ' A' ' 129' ' ' SER . 19.7 mtt-85 -37.42 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 74.310000000000002 110.323 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 125' ' ' LEU . 74.4 mt-10 -46.36 -50.43 16.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.019999999999996 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.485 ' CB ' ' HB2' ' A' ' 142' ' ' ALA . 24.7 m -132.14 13.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 72.310000000000002 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.2 p -98.76 7.99 45.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 62.439999999999998 110.043 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 32.9 t70 39.57 42.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 72.409999999999997 109.313 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.29 46.6 92.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 72.140000000000001 111.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' SER . 31.8 t -104.27 -76.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 75.530000000000001 109.96 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.85 -16.92 1.08 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 75.099999999999994 111.001 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.448 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 22.6 mt-10 -136.66 160.11 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 63.409999999999997 110.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 143' ' ' LEU . 2.2 pt -127.62 124.27 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 73.030000000000001 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -179.13 5.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 74.219999999999999 109.334 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.541 ' HB ' ' CE2' ' A' ' 89' ' ' PHE . 3.0 tp -54.35 -19.06 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 75.420000000000002 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.46 ' OE1' ' CG2' ' A' ' 137' ' ' ILE . 13.9 mm100 -87.98 -52.1 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 75.420000000000002 110.267 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 23.1 mt-30 -69.36 -57.45 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 74.450000000000003 110.302 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.523 ' CZ ' HD13 ' A' ' 144' ' ' LEU . 38.4 t80 -41.27 -53.67 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 75.200000000000003 111.022 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.473 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . . . -51.14 -37.4 45.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.409999999999997 109.33 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 139' ' ' GLN . . . -45.55 -43.62 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 64.019999999999996 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.474 ' CD1' HD13 ' A' ' 135' ' ' ILE . 1.3 mt -62.71 -44.11 97.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 75.450000000000003 109.362 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.523 HD13 ' CZ ' ' A' ' 140' ' ' PHE . 7.5 mt -86.71 11.3 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 75.25 109.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 141' ' ' ALA . 17.1 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 74.010000000000005 109.977 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . 0.482 ' CZ ' ' OE1' ' A' ' 127' ' ' GLU . 1.1 mmt85 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.335 -0.246 . . . . 73.510000000000005 110.335 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -12.79 59.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.299999999999997 109.316 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -84.45 -16.57 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 71.430000000000007 109.337 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -53.73 26.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 73.450000000000003 109.314 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -59.53 -34.63 72.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 73.409999999999997 110.276 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 463' ' ' LEU . 11.8 t30 -57.65 -46.25 84.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 73.439999999999998 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.468 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 3.1 ttmt -48.24 -32.43 7.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 72.129999999999995 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.5 HG23 ' CE1' ' A' ' 92' ' ' PHE . 17.9 mt -86.46 -33.26 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 74.219999999999999 109.284 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 74.8 mt -48.99 -44.86 41.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 109.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.448 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -73.48 -58.01 3.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 61.329999999999998 109.307 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.465 ' CG2' HD11 ' A' ' 39' ' ' LEU . 13.4 mt -43.15 -30.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 74.019999999999996 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.477 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . . . -86.84 -72.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 72.319999999999993 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.47 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 15.1 mmtt -36.6 -68.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 73.129999999999995 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.532 HG12 ' CZ ' ' A' ' 19' ' ' PHE . 21.1 t -40.0 -44.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 74.25 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 466' ' ' ALA . 8.7 t -66.47 -68.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 74.140000000000001 109.991 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.471 ' HD3' ' CG2' ' A' ' 474' ' ' VAL . 0.2 OUTLIER -36.22 -47.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 73.140000000000001 110.309 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.454 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 27.6 mtp -47.59 -48.07 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 75.200000000000003 111.014 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 43' ' ' PRO . 14.3 t80 -55.54 -28.79 56.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 74.5 111.041 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.3 t -79.84 -19.94 47.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 73.540000000000006 110.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.471 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 59.0 t -87.5 -54.09 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 74.129999999999995 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 474' ' ' VAL . 0.1 OUTLIER -39.57 -31.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 74.200000000000003 109.252 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 74.329999999999998 110.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.7 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.421 -0.215 . . . . 75.0 110.421 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -42.01 -38.58 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 72.129999999999995 110.268 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.19 -44.86 82.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 73.150000000000006 110.291 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 5' ' ' THR . 18.1 mm100 -57.81 -29.12 64.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 73.329999999999998 110.304 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.1 mm -73.65 -22.96 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.129999999999995 109.291 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.3 -13.02 59.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 64.230000000000004 109.258 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 12.4 mm-40 -75.5 -69.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 74.200000000000003 110.303 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 49.4 m-85 -43.77 -26.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.299999999999997 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -51.96 -47.04 64.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 71.549999999999997 109.286 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.52 -49.12 70.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 64.219999999999999 110.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.456 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -60.06 -17.15 37.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 75.310000000000002 109.306 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 1.8 t80 -79.36 -40.5 30.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 74.329999999999998 111.01 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.98 68.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 70.319999999999993 109.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.47 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 63.2 mt -40.11 -41.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 72.319999999999993 109.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.531 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 6.3 m-85 -110.7 -53.05 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 70.310000000000002 111.045 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -53.31 90.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 73.099999999999994 109.316 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' PHE . 33.3 mmtt -68.3 -67.05 0.49 Allowed 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 123.615 1.674 . . . . 74.340000000000003 109.273 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -74.36 -5.99 45.55 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.88 -1.057 . . . . 64.400000000000006 109.977 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 50.46 55.88 8.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 74.319999999999993 109.332 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.7 p30 -88.11 -22.13 24.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 71.340000000000003 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.82 32.6 3.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 73.230000000000004 111.019 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.6 p -168.83 112.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 74.140000000000001 110.022 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 74.4 mt -91.12 101.83 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 74.519999999999996 109.323 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 p -64.02 165.14 9.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 74.030000000000001 110.014 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' HG11 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -64.93 -16.17 62.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 71.120000000000005 109.95 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.79 -25.05 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 110.023 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -90.63 -31.45 16.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 73.040000000000006 110.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -72.01 -45.81 59.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 64.200000000000003 109.281 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.401 ' CB ' HG21 ' A' ' 48' ' ' VAL . . . -74.13 -12.64 60.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 73.400000000000006 109.35 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -23.31 62.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 74.230000000000004 110.39 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.531 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -91.49 -56.54 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 65.099999999999994 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.425 ' CE ' ' HB2' ' A' ' 472' ' ' PHE . 60.1 mtp -42.11 -50.08 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 74.099999999999994 111.008 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -65.17 -34.65 78.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 71.349999999999994 110.282 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' VAL . 7.2 p -60.98 -17.53 52.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 73.540000000000006 110.015 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.465 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 17.1 mt -91.98 -15.96 27.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 75.510000000000005 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.84 7.3 8.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.153 . . . . 62.32 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.95 -177.54 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 74.540000000000006 109.286 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.474 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -163.94 60.87 0.89 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 72.129999999999995 109.99 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.1 Cg_endo -75.01 139.39 24.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 74.5 110.997 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.35 140.09 38.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 54.229999999999997 109.995 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -53.11 -27.52 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 70.209999999999994 110.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.81 76.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 64.040000000000006 109.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.32 -50.03 17.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 72.230000000000004 110.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.419 ' CG2' ' HB2' ' A' ' 43' ' ' PRO . 39.1 t -39.81 -42.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 74.349999999999994 109.255 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.432 ' C ' ' N ' ' A' ' 51' ' ' LEU . 90.5 m-20 -68.21 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 52.329999999999998 109.274 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.511 ' OD2' ' CD1' ' A' ' 475' ' ' LEU . 0.0 OUTLIER -47.57 -23.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 73.230000000000004 109.308 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -77.97 -68.16 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 74.329999999999998 109.293 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.1 ptm -60.39 -12.3 9.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 75.310000000000002 110.979 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 1.1 m-80 -77.66 -7.63 56.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 73.519999999999996 109.277 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -96.18 -15.59 21.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 64.450000000000003 110.262 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.467 HG23 ' CD1' ' A' ' 71' ' ' LEU . 3.4 mm -106.2 -46.18 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 72.519999999999996 109.317 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 7.0 t0 -38.14 117.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 73.120000000000005 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -89.73 -19.17 7.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 123.577 1.656 . . . . 75.040000000000006 109.266 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 41.2 p-10 -108.25 -5.91 16.61 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.913 -1.041 . . . . 75.409999999999997 109.951 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.484 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 52.28 42.93 56.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 65.120000000000005 111.025 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 35.3 p-10 -95.05 12.27 29.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 72.430000000000007 109.313 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.651 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 37.1 t60 65.85 30.48 9.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 72.200000000000003 109.605 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 53.2 mt-30 -153.77 -179.93 8.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 64.239999999999995 110.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.57 129.49 68.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 73.5 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 5.1 mt-10 -94.69 175.42 6.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 75.239999999999995 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.584 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 t80 -73.63 -12.88 60.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.0 m -92.37 -46.81 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 72.439999999999998 109.982 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.2 -47.59 76.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 73.510000000000005 110.301 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.4 ' O ' ' HB3' ' A' ' 71' ' ' LEU . 58.9 t80 -57.98 -40.52 80.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 75.420000000000002 110.998 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.516 ' HB2' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -74.05 -30.16 62.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 109.309 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.72 -15.65 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 74.239999999999995 109.337 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -70.42 -49.57 47.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 73.329999999999998 109.292 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.423 ' SD ' ' CD ' ' A' ' 467' ' ' LYS . 6.5 mmt -59.43 -31.6 69.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 75.340000000000003 111.035 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.5 p -91.15 17.39 8.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 61.399999999999999 109.961 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 73.5 110.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.481 ' CD2' ' CD1' ' A' ' 144' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 70.340000000000003 109.313 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 87' ' ' GLU . 2.8 pp -65.94 -46.1 79.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 75.420000000000002 109.307 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.528 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 22.2 mm-40 -57.58 -35.13 69.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 74.329999999999998 110.345 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.469 ' HB1' ' CB ' ' A' ' 466' ' ' ALA . . . -85.34 -25.74 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 74.329999999999998 109.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.525 ' CG ' HD13 ' A' ' 137' ' ' ILE . 14.0 t80 -64.14 -62.7 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 74.450000000000003 110.978 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -62.97 -37.33 86.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 73.120000000000005 109.34 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 2.1 t -54.17 -59.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 62.340000000000003 109.336 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.8 m-85 -59.76 -44.54 93.8 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 123.613 1.673 . . . . 72.230000000000004 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.86 99.73 1.43 Allowed 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.893 -1.051 . . . . 72.310000000000002 110.001 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -31.16 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 109.322 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -77.39 -44.74 28.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 72.510000000000005 109.286 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.61 78.86 1.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 73.450000000000003 111.014 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.0 11.36 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 75.400000000000006 109.31 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.09 15.47 72.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.087 . . . . 74.239999999999995 110.973 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.453 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 2.1 mt -147.59 111.5 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 73.209999999999994 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.456 HD11 ' CB ' ' A' ' 92' ' ' PHE . 64.9 mt -76.13 102.07 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 64.040000000000006 109.257 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.0 t -65.98 175.2 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 109.966 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -49.7 -67.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 62.229999999999997 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.469 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -42.21 -65.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 74.019999999999996 109.277 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ALA . 35.3 mt-10 -38.91 -28.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 72.150000000000006 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.54 ' CD1' ' CD1' ' A' ' 135' ' ' ILE . 0.2 OUTLIER -90.94 -72.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 70.420000000000002 109.31 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.469 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -45.35 -58.72 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 74.329999999999998 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.97 -39.07 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.329999999999998 109.58 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.579 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -69.87 -56.25 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 71.420000000000002 109.326 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 114' ' ' GLU . 3.6 mm? -49.32 -32.75 11.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 74.030000000000001 109.333 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.2 m -78.4 -27.75 46.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 73.239999999999995 110.416 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.465 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -64.95 -11.51 39.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 73.329999999999998 109.959 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.477 ' CD1' ' HG2' ' A' ' 461' ' ' LYS . 17.0 pt -112.65 -33.29 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 74.400000000000006 109.265 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 115' ' ' LYS . . . 153.68 -35.6 0.74 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 73.140000000000001 111.011 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' LEU . 4.5 mm-40 -59.05 108.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 71.209999999999994 110.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 113' ' ' GLY . 16.6 mttt -109.82 91.1 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 75.230000000000004 109.294 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.472 HD23 ' CE ' ' A' ' 124' ' ' MET . 4.8 mp -98.78 142.64 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 75.200000000000003 109.312 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.5 p -72.44 153.32 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 72.319999999999993 110.395 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -51.33 -22.7 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 71.349999999999994 109.328 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.21 -40.56 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 74.25 109.283 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -63.96 -47.02 82.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 73.140000000000001 110.317 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 2.3 p -65.67 -50.06 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 70.549999999999997 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.495 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 7.8 t70 -48.92 -23.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 71.439999999999998 109.239 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.06 -34.32 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 64.230000000000004 109.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.472 ' CE ' HD23 ' A' ' 116' ' ' LEU . 6.0 tpp -61.21 -39.1 88.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 75.230000000000004 111.001 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 127' ' ' GLU . 2.5 mt -63.57 -57.35 10.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 73.120000000000005 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 125' ' ' LEU . 24.3 mtt-85 -37.36 -30.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 74.329999999999998 110.272 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 125' ' ' LEU . 97.1 mt-10 -46.49 -50.87 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 71.140000000000001 110.301 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.488 ' CB ' ' HB1' ' A' ' 142' ' ' ALA . 22.1 m -132.37 14.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 75.329999999999998 109.274 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.2 p -99.96 8.77 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.230000000000004 110.033 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 129' ' ' SER . 26.2 t0 38.91 46.58 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 70.349999999999994 109.293 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.1 46.95 68.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 74.099999999999994 111.034 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' SER . 30.1 t -104.65 -77.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 73.099999999999994 109.965 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 151.58 -18.33 0.88 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 73.400000000000006 111.02 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 21.8 mt-10 -135.25 157.97 45.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 75.420000000000002 110.362 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.54 ' CD1' ' CD1' ' A' ' 105' ' ' LEU . 5.5 pt -127.24 127.37 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.309 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.415 ' C ' ' N ' ' A' ' 138' ' ' GLN . 0.1 OUTLIER -93.91 177.72 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 75.140000000000001 109.317 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.525 HD13 ' CG ' ' A' ' 89' ' ' PHE . 10.7 tp -49.61 -22.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 74.230000000000004 109.341 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 136' ' ' ASN . 4.4 mm-40 -83.78 -55.75 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 71.420000000000002 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 19.9 mt-30 -68.28 -57.09 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 73.129999999999995 110.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.452 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 44.5 t80 -41.43 -52.72 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 74.299999999999997 110.998 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.472 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . . . -56.19 -36.22 68.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 74.349999999999994 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 139' ' ' GLN . . . -45.48 -34.48 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 70.319999999999993 109.287 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 135' ' ' ILE . 1.1 mt -68.92 -46.63 67.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 74.040000000000006 109.314 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 2.9 mt -69.74 -8.04 44.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 72.019999999999996 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 72.219999999999999 110.002 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 26.8 mmt-85 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.309 -0.256 . . . . 75.430000000000007 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.402 ' NZ ' ' CB ' ' A' ' 456' ' ' LYS . 0.0 OUTLIER -83.91 -21.31 31.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 74.040000000000006 109.275 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.91 -16.1 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 63.420000000000002 109.298 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -53.18 7.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 109.34 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 460' ' ' ASN . 4.0 ptp180 -61.23 -38.22 85.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 73.010000000000005 110.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.486 ' HA ' ' CD1' ' A' ' 463' ' ' LEU . 10.0 t30 -58.39 -34.01 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 71.439999999999998 109.291 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.477 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 6.7 ttmt -56.82 -28.43 61.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 72.019999999999996 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.563 HG21 ' CE1' ' A' ' 92' ' ' PHE . 23.1 mt -89.79 -41.93 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 74.219999999999999 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 92.7 mt -40.55 -38.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 75.329999999999998 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.441 ' C ' ' N ' ' A' ' 466' ' ' ALA . . . -76.6 -58.1 3.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 72.120000000000005 109.342 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.465 ' CD1' HG21 ' A' ' 112' ' ' ILE . 9.0 mt -41.2 -29.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 72.310000000000002 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.469 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . . . -81.33 -72.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 72.299999999999997 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.423 ' CD ' ' SD ' ' A' ' 72' ' ' MET . 3.9 mttm -49.44 -61.34 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.209999999999994 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.479 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 75.8 t -38.87 -37.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 75.319999999999993 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.75 -54.29 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 75.540000000000006 109.981 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.1 OUTLIER -51.21 -39.94 57.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 73.540000000000006 110.296 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.473 ' HB3' ' CD1' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -45.56 -33.94 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 74.25 111.022 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 28.9 t80 -87.16 -24.24 24.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 74.439999999999998 111.005 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 470' ' ' ARG . 43.8 t -88.31 -5.31 58.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 73.140000000000001 110.007 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 14.8 p -107.1 -46.61 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 72.510000000000005 109.28 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.511 ' CD1' ' OD2' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -40.03 -35.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 72.510000000000005 109.31 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 110.265 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 8.0 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.413 -0.217 . . . . 73.129999999999995 110.413 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -44.21 -38.87 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.310000000000002 110.338 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.71 -38.29 88.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 73.319999999999993 110.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.521 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 20.9 mm100 -68.29 -31.65 71.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 65.420000000000002 110.31 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.402 ' N ' HD11 ' A' ' 9' ' ' ILE . 3.8 mm -64.97 -22.84 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 72.040000000000006 109.32 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.07 -12.71 49.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 63.539999999999999 109.318 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 77.0 mt-10 -76.48 -57.72 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.150000000000006 110.278 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 26.2 m-85 -58.92 -14.63 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 110.971 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 12.5 mtmt -61.98 -28.56 69.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 75.510000000000005 109.338 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -79.92 -52.18 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 65.209999999999994 110.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.628 ' N ' ' HZ3' ' A' ' 461' ' ' LYS . . . -56.82 -17.69 10.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 73.420000000000002 109.26 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.3 t80 -78.73 -40.08 34.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 72.430000000000007 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -19.41 59.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 109.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 112' ' ' ILE . 54.4 mt -50.69 -40.83 54.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.439999999999998 109.299 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 4.5 m-85 -110.05 -34.76 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 74.230000000000004 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -69.69 84.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.5 109.284 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -62.06 -66.86 0.47 Allowed 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 123.656 1.693 . . . . 75.420000000000002 109.302 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.455 ' OD1' ' CB ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.65 -8.93 58.03 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.854 -1.07 . . . . 62.229999999999997 109.963 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 54.0 57.78 5.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 75.439999999999998 109.304 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.455 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . 10.8 p30 -91.92 -20.01 21.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 74.349999999999994 109.277 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.41 34.69 3.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 73.230000000000004 110.98 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 p -168.71 112.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 0.755 . . . . 72.209999999999994 110.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.561 HD12 ' CE1' ' A' ' 16' ' ' PHE . 59.7 mt -94.39 100.41 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 72.299999999999997 109.256 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 p -65.58 162.31 18.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 71.010000000000005 110.0 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 t -57.45 -17.07 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 110.022 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.2 -22.66 21.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 72.219999999999999 109.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -90.39 -30.0 17.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.430000000000007 110.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -75.08 -49.27 20.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 74.120000000000005 109.319 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.69 -12.37 61.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 71.150000000000006 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -24.08 64.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 74.329999999999998 110.369 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.552 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.1 t -91.45 -61.79 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.52 ' HE3' ' CG ' ' A' ' 472' ' ' PHE . 98.9 mtp -39.03 -57.65 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 75.129999999999995 111.041 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -51.97 -41.44 62.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 74.209999999999994 110.33 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' VAL . 6.2 p -55.56 -36.56 66.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 109.979 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 465' ' ' ILE . 17.8 mt -68.55 -21.3 64.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 72.049999999999997 109.296 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.02 2.13 8.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 73.409999999999997 110.977 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -79.01 -177.16 5.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 75.400000000000006 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.487 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 27.9 t -162.32 60.15 1.04 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 73.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.05 140.81 25.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 53.340000000000003 111.005 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -81.57 140.22 34.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 72.120000000000005 109.996 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -52.75 -27.26 17.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 73.239999999999995 110.297 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.67 -49.41 75.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 64.200000000000003 109.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 49' ' ' ASN . 1.9 mt-10 -74.94 -51.62 13.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 110.277 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 43' ' ' PRO . 54.6 t -40.18 -29.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 73.540000000000006 109.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 47' ' ' GLU . 83.4 m-20 -76.1 -67.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 75.510000000000005 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -46.62 -24.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 75.439999999999998 109.321 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -76.37 -68.58 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 74.239999999999995 109.287 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.5 ptm -61.24 -11.8 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.140000000000001 110.962 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -78.38 -7.83 57.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 73.540000000000006 109.314 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -95.45 -11.89 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 60.439999999999998 110.316 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 71' ' ' LEU . 1.3 mm -107.97 -49.48 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 72.420000000000002 109.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 6.5 t0 -39.18 119.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 75.420000000000002 109.272 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -86.38 -27.88 6.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 123.592 1.663 . . . . 72.519999999999996 109.285 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.9 p-10 -100.77 -6.67 24.6 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.892 -1.052 . . . . 74.150000000000006 109.998 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.499 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.9 42.28 79.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 75.349999999999994 111.027 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.405 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 32.9 p-10 -92.68 11.66 25.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 74.109999999999999 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.661 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 38.2 t60 66.03 33.28 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 73.530000000000001 109.586 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 51.3 mt-30 -156.07 165.06 37.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 74.400000000000006 110.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.69 128.77 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 60.439999999999998 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.463 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -95.93 175.93 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.310000000000002 110.278 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.605 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.3 t80 -71.28 -13.14 61.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 71.299999999999997 110.99 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -91.8 -43.36 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 73.310000000000002 109.979 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -69.05 -52.35 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 60.310000000000002 110.311 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -52.5 -44.32 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 72.549999999999997 111.006 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -69.91 -34.45 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 74.409999999999997 109.33 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.84 -15.64 60.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 73.409999999999997 109.326 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.463 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 36.6 tp -75.28 -46.29 34.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 73.400000000000006 109.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.424 ' CE ' ' HD3' ' A' ' 467' ' ' LYS . 2.4 mmt -48.08 -36.96 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 110.998 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.3 p -76.09 -28.06 57.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 73.420000000000002 109.955 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 74.099999999999994 110.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.572 ' CD2' ' CB ' ' A' ' 141' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.32 -0.622 . . . . 72.239999999999995 109.32 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -40.49 -36.25 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 73.530000000000001 109.312 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.506 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 3.1 mm-40 -73.13 -48.94 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 75.129999999999995 110.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' LEU . . . -67.94 -16.28 63.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 64.030000000000001 109.335 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 85' ' ' LEU . 12.4 t80 -73.75 -64.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 74.120000000000005 110.991 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -65.5 -30.24 70.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 73.230000000000004 109.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 5.9 t -61.43 -54.67 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 74.430000000000007 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 3.9 m-85 -65.0 -45.89 83.72 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.62 1.676 . . . . 71.439999999999998 111.016 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.19 98.77 0.83 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.906 -1.045 . . . . 74.230000000000004 109.968 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.94 -29.25 22.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 65.329999999999998 109.285 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.444 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -79.09 -42.95 25.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 73.239999999999995 109.299 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.58 77.46 1.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 64.310000000000002 110.987 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -137.26 8.84 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 74.329999999999998 109.329 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.55 11.61 72.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 71.450000000000003 111.027 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.462 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 2.2 mt -144.28 113.74 7.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 75.230000000000004 109.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.455 HD12 ' CB ' ' A' ' 92' ' ' PHE . 57.1 mt -76.8 104.84 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 72.010000000000005 109.282 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.4 t -67.37 -175.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 64.409999999999997 109.956 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -56.91 -70.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 74.120000000000005 109.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.478 ' HA ' ' HG3' ' A' ' 106' ' ' LYS . . . -41.82 -66.22 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 62.200000000000003 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 103' ' ' ALA . 33.9 mt-10 -38.32 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 75.299999999999997 110.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ALA . 3.9 tp -89.73 -71.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 71.230000000000004 109.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.478 ' HG3' ' HA ' ' A' ' 103' ' ' ALA . 0.4 OUTLIER -47.25 -60.66 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 74.109999999999999 109.332 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.568 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.56 -41.43 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 73.099999999999994 109.602 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.634 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.3 t -67.07 -42.97 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 75.439999999999998 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 114' ' ' GLU . 2.5 mm? -60.93 -38.21 85.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 73.129999999999995 109.259 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.5 m -77.54 -27.05 51.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 71.540000000000006 110.413 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -65.13 -12.45 51.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 75.430000000000007 110.022 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.49 ' CD1' ' CG ' ' A' ' 461' ' ' LYS . 12.0 pt -112.8 -32.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 75.420000000000002 109.332 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 154.92 -35.35 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 70.420000000000002 111.023 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 109' ' ' LEU . 7.7 mm-40 -61.05 106.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 75.430000000000007 110.287 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -103.8 95.46 6.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 71.349999999999994 109.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.459 ' CD2' ' HE1' ' A' ' 124' ' ' MET . 3.9 mp -107.77 142.31 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 74.519999999999996 109.265 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 120' ' ' GLU . 13.7 p -74.15 152.34 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 74.310000000000002 110.39 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.92 -21.81 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 72.150000000000006 109.295 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.38 -34.62 23.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 72.420000000000002 109.299 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 117' ' ' THR . 47.3 mt-10 -73.33 -29.68 62.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 75.109999999999999 110.321 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 9.9 p -81.88 -52.93 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 72.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.47 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 10.2 t70 -49.79 -23.04 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 75.439999999999998 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.02 -31.89 16.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 71.310000000000002 109.328 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.459 ' HE1' ' CD2' ' A' ' 116' ' ' LEU . 34.1 ttm -64.65 -37.75 88.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 73.530000000000001 111.016 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 129' ' ' SER . 12.7 mt -64.56 -56.92 10.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 64.530000000000001 109.317 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.411 ' HA ' ' OG ' ' A' ' 129' ' ' SER . 23.2 mtt-85 -38.26 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 110.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 125' ' ' LEU . 15.0 mm-40 -49.15 -50.58 36.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 72.120000000000005 110.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.498 ' CB ' ' HB2' ' A' ' 142' ' ' ALA . 16.7 m -132.75 17.55 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 74.530000000000001 109.255 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.5 p -102.67 2.32 35.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 72.120000000000005 109.99 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.2 t0 45.15 48.36 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 74.340000000000003 109.277 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 49.28 36.23 22.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 60.119999999999997 110.975 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 129' ' ' SER . 94.4 p -88.05 -72.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 73.209999999999994 110.032 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.64 -16.58 1.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 74.239999999999995 111.012 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.419 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.7 mt-10 -141.57 170.11 16.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 72.129999999999995 110.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.411 ' HB ' ' N ' ' A' ' 140' ' ' PHE . 3.8 pt -135.88 122.44 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.040000000000006 109.291 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -93.06 175.84 6.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 72.530000000000001 109.318 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 7.3 tp -46.97 -24.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 73.329999999999998 109.308 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -81.55 -58.07 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 74.209999999999994 110.306 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 23.6 mt-30 -66.06 -58.29 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 55.210000000000001 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' ASN . 9.4 t80 -43.21 -48.76 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 73.140000000000001 111.051 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.572 ' CB ' ' CD2' ' A' ' 85' ' ' LEU . . . -53.24 -36.55 61.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 72.109999999999999 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.498 ' HB2' ' CB ' ' A' ' 128' ' ' VAL . . . -45.35 -49.18 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 54.329999999999998 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -42.95 91.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 75.319999999999993 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 144' ' ' LEU . 1.4 mt -74.18 -3.41 29.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 109.266 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 70.409999999999997 110.017 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 35.2 mmt-85 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.301 -0.259 . . . . 75.450000000000003 110.301 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.438 ' CB ' ' NH2' ' A' ' 459' ' ' ARG . 0.1 OUTLIER -77.79 -21.78 51.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 70.450000000000003 109.306 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.15 -16.12 28.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 70.040000000000006 109.264 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.02 -42.33 76.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 75.030000000000001 109.27 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.438 ' NH2' ' CB ' ' A' ' 456' ' ' LYS . 1.9 ptp85 -76.25 -26.91 56.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 75.439999999999998 110.321 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 11' ' ' GLU . 14.4 t30 -66.19 -31.2 71.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 74.209999999999994 109.339 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.628 ' HZ3' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -54.91 -26.87 38.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 71.219999999999999 109.28 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.544 HG21 ' CE1' ' A' ' 92' ' ' PHE . 8.5 mt -89.61 -37.65 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 73.319999999999993 109.332 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.0 mp -40.88 -48.82 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 72.430000000000007 109.308 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 466' ' ' ALA . . . -69.73 -59.58 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 75.239999999999995 109.343 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.476 HG21 ' CD1' ' A' ' 39' ' ' LEU . 76.3 mt -39.91 -30.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 75.400000000000006 109.281 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 464' ' ' ALA . . . -87.49 -72.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 70.329999999999998 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 470' ' ' ARG . 22.4 mttm -39.8 -67.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 74.420000000000002 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 35.3 t -45.09 -51.21 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 71.430000000000007 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 10.9 t -55.88 -31.7 63.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 75.510000000000005 109.998 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -76.72 -40.14 49.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 72.230000000000004 110.305 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.447 ' CE ' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -47.81 -22.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 75.310000000000002 110.974 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 43' ' ' PRO . 18.0 t80 -92.22 -28.21 17.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 73.040000000000006 111.038 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 470' ' ' ARG . 9.9 t -87.1 -1.86 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 70.239999999999995 110.01 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.422 ' HB ' ' CD ' ' A' ' 470' ' ' ARG . 12.2 p -109.08 -46.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 71.450000000000003 109.283 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -42.23 -33.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 75.409999999999997 109.281 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 72.430000000000007 110.279 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.434 -0.21 . . . . 62.240000000000002 110.434 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 7' ' ' GLU . 11.9 pt-20 -40.97 -40.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.030000000000001 110.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 1.9 tp10 -62.86 -52.55 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 73.329999999999998 110.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.502 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 8.6 mm100 -49.91 -30.36 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 61.240000000000002 110.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.528 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.2 mm -71.79 -35.3 54.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 74.409999999999997 109.272 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.33 -12.62 60.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 71.25 109.309 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 89.0 mt-10 -74.3 -61.04 2.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 65.299999999999997 110.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 24.5 m-85 -59.9 -14.05 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 75.340000000000003 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 1.1 mttt -64.93 -22.27 66.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 75.540000000000006 109.284 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.58 -57.79 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.230000000000004 110.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.96 -20.96 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 73.010000000000005 109.317 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.573 ' CE1' HD12 ' A' ' 27' ' ' ILE . 6.9 t80 -75.66 -39.03 58.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 71.140000000000001 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -28.01 66.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 71.420000000000002 109.307 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 65.5 mt -43.17 -39.75 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 71.349999999999994 109.316 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 35' ' ' VAL . 5.2 m-85 -110.44 -45.85 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 75.109999999999999 111.024 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.481 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -58.8 86.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 74.409999999999997 109.272 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 19' ' ' PHE . 63.7 mmtt -65.79 -67.28 0.46 Allowed 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.62 1.676 . . . . 73.230000000000004 109.352 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -73.92 -12.95 60.81 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.875 -1.059 . . . . 70.430000000000007 109.965 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.4 m120 57.73 62.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 74.030000000000001 109.316 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.3 p30 -97.03 -22.01 17.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 74.019999999999996 109.345 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.83 33.79 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 72.549999999999997 111.028 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.98 111.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 75.540000000000006 109.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.573 HD12 ' CE1' ' A' ' 16' ' ' PHE . 75.4 mt -91.83 101.19 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 72.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -68.07 165.76 17.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 72.519999999999996 110.005 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.476 ' CB ' HG13 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -61.22 -15.46 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 62.340000000000003 110.033 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.7 -24.93 22.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 65.019999999999996 110.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -90.73 -29.9 17.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 71.530000000000001 110.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD2' HG11 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -74.82 -48.78 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 72.120000000000005 109.345 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.417 ' N ' HD22 ' A' ' 32' ' ' LEU . . . -69.88 -12.37 61.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 74.439999999999998 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.95 -25.53 63.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 63.299999999999997 110.379 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.0 t -91.49 -62.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 75.420000000000002 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.454 ' CE ' ' HB2' ' A' ' 472' ' ' PHE . 90.3 mtp -41.64 -46.34 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.310000000000002 111.001 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.4 ptm180 -62.36 -43.54 98.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 73.540000000000006 110.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 25.6 m -56.13 -35.66 67.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 71.299999999999997 109.98 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.455 ' CD1' ' CG2' ' A' ' 465' ' ' ILE . 4.0 mt -69.96 -22.34 63.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 74.140000000000001 109.331 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.32 -4.9 8.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 61.200000000000003 111.004 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.452 HD12 ' CA ' ' A' ' 36' ' ' MET . 15.2 mt -70.06 177.33 3.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 72.109999999999999 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.527 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 16.0 p -157.56 58.17 1.42 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 62.409999999999997 109.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.5 Cg_endo -74.92 114.01 3.93 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.538 1.809 . . . . 75.25 111.043 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.67 140.58 54.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 73.140000000000001 109.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -46.3 -28.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 73.439999999999998 110.26 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.34 77.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 64.450000000000003 109.288 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.5 mm-40 -74.77 -49.92 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.030000000000001 110.256 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.476 HG13 ' CB ' ' A' ' 29' ' ' SER . 53.4 t -41.11 -39.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 72.030000000000001 109.313 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' ASN . 93.0 m-20 -65.41 -61.23 2.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 74.349999999999994 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.0 -16.1 11.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 71.439999999999998 109.273 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.505 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.5 tm? -82.18 -51.26 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 64.120000000000005 109.271 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 56' ' ' ASP . 6.3 ptm -79.06 -13.33 59.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 75.230000000000004 110.98 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 6.4 m-80 -85.27 -8.77 58.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 74.409999999999997 109.324 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -85.94 -12.24 51.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 75.5 110.295 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 71' ' ' LEU . 2.0 mm -117.83 -39.78 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 73.319999999999993 109.339 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 2.6 t0 -38.92 119.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 74.430000000000007 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 67' ' ' GLU . 2.6 p -93.04 -31.55 4.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 CA-C-O 123.615 1.674 . . . . 74.140000000000001 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 49.7 p30 -92.51 -7.32 47.67 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.946 -1.026 . . . . 75.450000000000003 110.022 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.34 42.08 88.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 63.43 111.028 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.409 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 39.4 p-10 -96.97 10.22 39.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 74.430000000000007 109.268 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.72 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 17.1 t60 66.83 32.26 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 70.019999999999996 109.639 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 42.7 mt-30 -152.96 -175.86 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 74.230000000000004 110.32 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.18 126.19 58.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 72.349999999999994 109.286 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -93.52 177.92 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 74.299999999999997 110.295 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 4.2 t80 -76.01 -13.3 60.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 61.240000000000002 110.987 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 p -90.43 -44.26 9.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 72.340000000000003 109.998 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG2' ' CG1' ' A' ' 57' ' ' VAL . 10.3 mt-10 -70.29 -53.17 17.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 71.040000000000006 110.295 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -51.81 -45.38 63.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.349999999999994 111.016 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.22 -31.8 69.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.219999999999999 109.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.68 -16.43 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 63.329999999999998 109.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 55' ' ' ILE . 5.0 tp -73.74 -50.91 18.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 74.439999999999998 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.463 ' SD ' ' CD ' ' A' ' 467' ' ' LYS . 6.2 mmt -56.05 -42.61 76.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 75.010000000000005 111.011 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.1 p -82.18 6.06 17.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 73.409999999999997 110.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 74.299999999999997 110.282 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.476 HD22 ' CB ' ' A' ' 141' ' ' ALA . 7.8 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.28 -0.637 . . . . 73.010000000000005 109.28 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 pp -57.76 -46.91 83.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 74.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.522 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 36.2 mm-40 -51.58 -44.89 62.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 71.319999999999993 110.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.484 ' HB3' ' CB ' ' A' ' 466' ' ' ALA . . . -80.5 -24.63 39.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 73.420000000000002 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.9 t80 -66.04 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 72.219999999999999 110.99 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -60.95 -31.34 70.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 75.530000000000001 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 2.3 t -62.7 -54.72 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 75.430000000000007 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.633 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 3.2 m-85 -64.39 -41.7 96.52 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.659 1.695 . . . . 73.299999999999997 111.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.405 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.3 OUTLIER -71.9 101.93 2.78 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.927 -1.035 . . . . 74.340000000000003 109.995 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 -33.27 19.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 75.129999999999995 109.297 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.61 -44.97 32.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 74.409999999999997 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.04 78.58 1.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 75.200000000000003 111.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.44 11.34 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 75.040000000000006 109.306 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.498 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 69.97 18.45 74.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 75.420000000000002 111.001 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -150.03 110.92 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 75.120000000000005 109.268 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.427 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 57.4 mt -75.58 104.12 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 75.400000000000006 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.1 p -69.66 173.27 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 74.120000000000005 110.015 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -44.67 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 63.409999999999997 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.478 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -41.75 -66.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 64.129999999999995 109.282 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ALA . 33.5 mt-10 -37.94 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 62.240000000000002 110.281 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 103' ' ' ALA . 3.0 tp -89.99 -72.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 72.230000000000004 109.304 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -46.57 -60.02 2.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 75.430000000000007 109.269 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.574 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.22 -41.5 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 72.319999999999993 109.564 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.633 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -68.6 -41.81 83.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 73.400000000000006 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' LYS . 0.7 OUTLIER -61.44 -38.15 86.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 72.340000000000003 109.283 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 7.0 m -81.28 -10.17 59.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 72.120000000000005 110.38 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.89 0.07 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 70.219999999999999 109.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.473 HD11 ' CD2' ' A' ' 18' ' ' LEU . 2.6 pt -112.72 -33.05 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 73.420000000000002 109.298 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.424 ' N ' HG13 ' A' ' 112' ' ' ILE . . . 150.25 -42.51 0.77 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 74.420000000000002 111.025 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -52.04 173.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 75.219999999999999 110.267 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 114' ' ' GLU . 14.4 mtmm -154.72 116.96 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 71.530000000000001 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.465 ' N ' ' OE2' ' A' ' 114' ' ' GLU . 1.5 mp -125.85 138.34 53.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 75.010000000000005 109.329 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' GLU . 21.5 p -66.64 147.73 52.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 72.319999999999993 110.388 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.37 -21.79 3.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 73.140000000000001 109.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.72 -27.98 20.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 74.409999999999997 109.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' THR . 20.0 mm-40 -73.68 -47.92 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 72.420000000000002 110.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.462 HG13 ' CG ' ' A' ' 106' ' ' LYS . 11.6 p -67.07 -53.91 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 75.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 8.8 t70 -50.74 -21.96 1.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 75.200000000000003 109.281 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -90.71 -31.93 16.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 73.409999999999997 109.302 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.447 ' HE3' ' CD2' ' A' ' 116' ' ' LEU . 14.3 ttm -63.21 -30.88 71.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 73.319999999999993 111.017 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 129' ' ' SER . 13.1 mt -65.95 -52.5 49.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 73.439999999999998 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.437 ' HA ' ' OG ' ' A' ' 129' ' ' SER . 37.9 mtt180 -37.87 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 64.25 110.288 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 89.6 mt-10 -48.86 -50.3 35.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.329999999999998 110.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.487 ' CB ' ' HB2' ' A' ' 142' ' ' ALA . 34.4 m -132.13 16.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 73.349999999999994 109.324 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 125' ' ' LEU . 38.5 p -106.17 3.58 28.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 73.450000000000003 109.991 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 129' ' ' SER . 20.0 t70 38.36 50.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 55.43 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 48.31 45.68 28.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 63.340000000000003 111.003 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 129' ' ' SER . 37.5 t -95.8 -69.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 71.310000000000002 110.001 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.17 -11.43 2.3 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 75.530000000000001 110.993 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.4 mt-10 -148.37 166.79 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 0.798 . . . . 75.239999999999995 110.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.436 ' HA ' ' NE2' ' A' ' 139' ' ' GLN . 7.3 pt -136.67 130.33 46.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 72.120000000000005 109.301 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.13 -176.28 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 74.430000000000007 109.267 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 85' ' ' LEU . 6.5 tp -56.59 -17.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 74.329999999999998 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.448 ' OE1' ' CG2' ' A' ' 137' ' ' ILE . 14.4 mm100 -88.23 -50.86 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 73.319999999999993 110.283 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 29.3 mt-30 -70.3 -57.25 5.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 74.519999999999996 110.314 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -42.36 -51.48 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 110.966 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.476 ' CB ' HD22 ' A' ' 85' ' ' LEU . . . -58.24 -35.12 71.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 74.230000000000004 109.259 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 139' ' ' GLN . . . -46.54 -38.74 9.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 64.049999999999997 109.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.69 -45.06 86.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 73.409999999999997 109.286 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -75.93 -13.18 60.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 109.279 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 71.439999999999998 109.961 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.28 -0.267 . . . . 64.120000000000005 110.28 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.466 ' HE3' ' CB ' ' A' ' 457' ' ' ALA . 0.0 OUTLIER -57.19 -22.87 43.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 75.120000000000005 109.286 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . 0.466 ' CB ' ' HE3' ' A' ' 456' ' ' LYS . . . -86.98 -21.6 26.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 74.319999999999993 109.307 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -44.53 97.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 75.140000000000001 109.333 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 2.1 ptp85 -77.09 -26.04 52.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.329999999999998 110.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 11' ' ' GLU . 20.7 t30 -70.04 -29.43 66.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 72.140000000000001 109.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -57.72 -26.43 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 73.209999999999994 109.303 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.524 HG23 ' CE1' ' A' ' 92' ' ' PHE . 7.6 mt -89.16 -32.52 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 74.439999999999998 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.406 ' N ' HD13 ' A' ' 463' ' ' LEU . 6.1 mp -48.23 -46.17 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 74.230000000000004 109.307 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.508 ' O ' ' CG2' ' A' ' 468' ' ' VAL . . . -68.28 -61.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 61.130000000000003 109.307 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.466 ' CD1' ' CG2' ' A' ' 112' ' ' ILE . 17.8 mt -47.05 -24.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 71.099999999999994 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.484 ' CB ' ' HB3' ' A' ' 88' ' ' ALA . . . -80.79 -63.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 74.219999999999999 109.341 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.463 ' CD ' ' SD ' ' A' ' 72' ' ' MET . 22.2 mttt -61.26 -63.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 75.519999999999996 109.346 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 464' ' ' ALA . 5.0 m -38.85 -31.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 73.319999999999993 109.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 467' ' ' LYS . 1.3 t -77.71 -56.97 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 73.450000000000003 110.029 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.0 OUTLIER -50.1 -44.83 52.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 110.329 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.454 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 14.1 mtm -45.81 -29.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 72.030000000000001 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 12.6 t80 -87.27 -27.46 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 60.409999999999997 110.997 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 470' ' ' ARG . 13.9 t -86.22 -2.06 58.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 73.420000000000002 110.018 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.406 ' C ' ' N ' ' A' ' 476' ' ' ARG . 12.2 p -112.6 -44.85 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 71.329999999999998 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.22 -33.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 65.019999999999996 109.333 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 73.129999999999995 110.345 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.387 -0.227 . . . . 72.140000000000001 110.387 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -53.93 -23.6 13.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.409999999999997 110.293 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -73.68 -30.36 62.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 71.129999999999995 110.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 3.3 mt-30 -78.87 -39.0 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 72.150000000000006 110.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.6 mm -60.71 -21.44 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 73.340000000000003 109.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.79 -18.24 35.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 75.219999999999999 109.332 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 52.2 mt-10 -73.74 -61.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 73.340000000000003 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 33.4 m-85 -53.8 -22.12 8.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 71.209999999999994 110.964 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -54.72 -31.65 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.230000000000004 109.307 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.08 -35.35 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.540000000000006 110.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -71.05 -15.3 62.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 65.129999999999995 109.263 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 8.0 t80 -86.73 -35.1 19.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 73.129999999999995 110.965 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.25 -18.2 65.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 72.340000000000003 109.298 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 59.2 mt -51.16 -34.71 32.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.566 ' CE2' ' HB ' ' A' ' 35' ' ' VAL . 5.8 m-85 -115.69 -49.82 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 71.239999999999995 111.043 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.65 92.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 64.230000000000004 109.296 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.1 mmtt -70.48 -67.3 0.51 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 123.64 1.686 . . . . 73.319999999999993 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.6 p30 -74.45 -7.88 54.44 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.898 -1.049 . . . . 74.129999999999995 109.962 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.74 61.18 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 71.209999999999994 109.283 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 13.1 p30 -94.09 -26.83 16.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 70.5 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 111.58 33.61 2.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 75.120000000000005 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.401 ' CB ' ' OE1' ' A' ' 62' ' ' GLN . 0.6 OUTLIER -168.91 111.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 63.219999999999999 110.012 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.552 HD12 ' CE1' ' A' ' 16' ' ' PHE . 90.4 mt -92.41 99.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 74.239999999999995 109.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 p -64.97 179.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.319999999999993 110.004 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -68.61 -34.16 75.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 74.219999999999999 110.024 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -30.15 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 75.439999999999998 110.025 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -82.55 -35.2 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 74.120000000000005 110.347 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -73.31 -49.61 26.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 63.009999999999998 109.323 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.09 -12.84 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 73.510000000000005 109.314 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.404 ' CG2' ' HE3' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -68.73 -23.96 64.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 74.310000000000002 110.407 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 1.7 t -88.72 -56.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 75.140000000000001 109.32 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' VAL . 70.7 mmm -37.26 -55.37 1.01 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 71.409999999999997 110.987 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' SER . 18.2 ptp180 -61.34 -42.46 98.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 75.200000000000003 110.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.3 m -54.77 -22.14 13.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 61.32 110.012 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 18.4 mt -90.81 -22.41 21.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 74.150000000000006 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.69 4.87 8.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 73.019999999999996 111.05 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.0 mt -81.76 -176.35 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 75.450000000000003 109.334 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.458 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 34.3 p -162.61 61.17 1.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 63.130000000000003 110.029 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.99 139.28 24.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 64.129999999999995 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.43 140.34 38.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 65.230000000000004 110.005 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 16.6 tt0 -53.73 -27.33 27.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 75.040000000000006 110.328 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.0 -49.2 75.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 73.040000000000006 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 475' ' ' LEU . 2.7 mt-10 -74.07 -51.91 14.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 71.519999999999996 110.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.468 HG11 ' CD2' ' A' ' 32' ' ' LEU . 55.1 t -40.41 -29.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 65.329999999999998 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 47' ' ' GLU . 86.8 m-20 -73.33 -65.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 73.530000000000001 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -22.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 71.519999999999996 109.298 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 475' ' ' LEU . 4.6 tt -80.52 -62.42 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 72.030000000000001 109.303 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.2 ptm -62.97 -13.75 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 62.210000000000001 110.958 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -90.74 -12.39 36.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 75.349999999999994 109.317 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -82.47 -10.32 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.409999999999997 110.261 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 71' ' ' LEU . 1.2 mm -117.74 -41.57 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 73.409999999999997 109.326 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 7.1 t0 -37.93 123.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.229999999999997 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.455 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 3.3 t -82.19 -36.13 13.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 CA-C-O 123.596 1.665 . . . . 74.329999999999998 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.505 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 54.3 p30 -97.08 -6.15 35.82 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.86 -1.067 . . . . 70.420000000000002 109.967 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.84 43.18 81.14 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.523 1.139 . . . . 73.409999999999997 110.997 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 29.1 p-10 -97.49 13.75 28.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.771 . . . . 72.400000000000006 109.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.654 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 44.3 t60 67.63 38.21 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.040000000000006 109.609 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.422 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 34.2 mt-30 -154.3 158.45 40.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 74.530000000000001 110.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -116.24 123.73 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 72.25 109.318 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 5.7 mt-10 -91.75 166.49 12.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 64.349999999999994 110.34 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.608 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.8 t80 -64.66 -12.99 52.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 72.329999999999998 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.3 p -94.27 -43.13 8.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 71.450000000000003 110.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 20.3 mt-10 -67.75 -47.99 67.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 75.540000000000006 110.315 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -58.7 -42.11 87.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 74.150000000000006 111.035 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HB2' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -70.68 -31.04 67.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 75.349999999999994 109.288 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -70.83 -19.97 62.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 65.549999999999997 109.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' CD1' HD12 ' A' ' 55' ' ' ILE . 3.3 tp -69.57 -53.29 19.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 74.530000000000001 109.332 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.488 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -60.29 -16.92 38.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.319999999999993 110.99 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -118.15 27.28 9.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 74.040000000000006 109.967 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 73.010000000000005 110.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.536 HD23 ' CB ' ' A' ' 141' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.635 . . . . 75.040000000000006 109.284 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 pp -46.47 -30.68 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 109.309 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 11.4 mm-40 -73.77 -57.32 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 70.219999999999999 110.291 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 91' ' ' VAL . . . -64.9 -13.02 55.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 55.240000000000002 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.521 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 16.3 t80 -83.95 -55.82 4.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 75.040000000000006 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 11.9 ptpt -67.34 -40.71 85.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 72.5 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 1.7 p -55.06 -47.78 76.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 75.420000000000002 109.29 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.581 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 3.4 m-85 -68.0 -37.83 81.92 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.639 1.685 . . . . 73.510000000000005 111.012 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.405 ' OD2' ' HA2' ' A' ' 96' ' ' GLY . 0.3 OUTLIER -76.15 102.61 5.82 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 117.953 -1.023 . . . . 75.340000000000003 109.969 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -32.37 19.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.219999999999999 109.322 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.45 -50.94 12.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 73.239999999999995 109.289 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.47 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 93.11 63.59 1.09 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 73.530000000000001 110.97 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.456 ' HB3' ' OD1' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -119.19 -6.13 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 74.010000000000005 109.273 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.14 7.81 67.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 60.200000000000003 111.028 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.453 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 1.1 mt -142.27 116.56 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 73.409999999999997 109.311 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.414 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 58.0 mt -78.75 105.82 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 73.409999999999997 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 p -70.03 -178.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 74.430000000000007 110.027 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 106' ' ' LYS . . . -51.8 -71.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 63.109999999999999 109.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -41.1 -65.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 75.310000000000002 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' ALA . 75.2 mt-10 -38.34 -29.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.409999999999997 110.353 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 103' ' ' ALA . 3.3 tp -93.46 -72.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 73.409999999999997 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.482 ' HB3' ' CG2' ' A' ' 121' ' ' VAL . 5.6 ptmt -48.51 -56.98 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 74.340000000000003 109.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.534 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.3 -37.6 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.239999999999995 109.581 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.581 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -71.92 -40.26 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 75.510000000000005 109.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' GLU . 1.9 mm? -67.12 -26.18 66.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 109.354 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.6 m -82.8 -17.16 45.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 74.540000000000006 110.357 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.482 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -76.72 -10.69 59.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 70.230000000000004 109.974 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 461' ' ' LYS . 6.1 pt -112.44 -32.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 74.349999999999994 109.271 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.36 -33.73 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 61.350000000000001 110.958 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 109' ' ' LEU . 10.4 mm-40 -62.63 106.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 71.140000000000001 110.269 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -106.73 93.21 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 75.530000000000001 109.357 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.443 ' CD2' ' HE2' ' A' ' 124' ' ' MET . 1.4 mp -102.39 142.52 33.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 72.420000000000002 109.32 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.2 p -75.15 155.68 36.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 73.530000000000001 110.374 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 33.3 t0 -53.65 -34.3 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 72.049999999999997 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.19 -24.13 51.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 75.510000000000005 109.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -76.73 -56.69 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 65.019999999999996 110.301 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -63.07 -50.4 79.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 74.109999999999999 109.289 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.51 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 12.8 t0 -47.07 -25.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 65.319999999999993 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 121' ' ' VAL . 3.4 t0 -90.65 -35.99 14.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 72.349999999999994 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 121' ' ' VAL . 36.7 ttm -62.73 -36.11 81.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 74.230000000000004 110.991 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 127' ' ' GLU . 10.1 mt -62.12 -52.66 62.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 71.540000000000006 109.261 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 125' ' ' LEU . 37.5 mtt180 -37.11 -30.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.450000000000003 110.329 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 27.0 mm-40 -46.42 -50.39 16.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 75.120000000000005 110.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.507 ' CB ' ' HB1' ' A' ' 142' ' ' ALA . 19.9 m -132.32 14.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.409999999999997 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.0 p -100.48 11.29 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 75.329999999999998 109.992 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 129' ' ' SER . 25.9 t0 39.2 45.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 73.329999999999998 109.257 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.91 46.75 75.66 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.492 1.12 . . . . 55.240000000000002 110.984 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' SER . 41.5 t -106.83 -77.39 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 0.795 . . . . 65.510000000000005 110.002 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.9 -17.58 1.08 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.518 1.136 . . . . 61.219999999999999 111.041 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 19.6 mt-10 -129.84 156.22 44.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 72.340000000000003 110.334 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.467 HD13 ' CD1' ' A' ' 143' ' ' LEU . 3.0 pt -128.82 123.04 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 74.109999999999999 109.332 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.45 ' HB3' ' CD2' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -91.99 175.17 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 63.219999999999999 109.307 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.521 ' HB ' ' CE2' ' A' ' 89' ' ' PHE . 5.7 tp -46.48 -25.0 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 74.409999999999997 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 3.8 mm-40 -81.92 -58.47 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 75.319999999999993 110.284 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 142' ' ' ALA . 20.9 mt-30 -64.6 -57.42 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 74.319999999999993 110.276 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.429 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 20.8 t80 -44.52 -44.48 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 74.230000000000004 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.536 ' CB ' HD23 ' A' ' 85' ' ' LEU . . . -56.98 -35.71 69.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 73.230000000000004 109.262 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.507 ' HB1' ' CB ' ' A' ' 128' ' ' VAL . . . -49.29 -48.0 46.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.439999999999998 109.26 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 135' ' ' ILE . 1.2 mt -59.71 -45.3 92.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 74.129999999999995 109.333 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.05 -6.15 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 71.319999999999993 109.29 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 74.129999999999995 110.004 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 42.6 mmt-85 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.3 -0.259 . . . . 71.120000000000005 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -60.61 -16.66 40.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 72.140000000000001 109.311 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.84 -18.25 24.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 73.239999999999995 109.319 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.16 -47.62 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 72.510000000000005 109.282 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -73.94 -34.68 64.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 75.530000000000001 110.291 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 463' ' ' LEU . 9.1 t30 -58.42 -35.89 72.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.239999999999995 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.478 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -58.77 -27.13 64.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 75.239999999999995 109.33 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.56 HD11 ' CZ ' ' A' ' 92' ' ' PHE . 27.1 mt -89.57 -35.45 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 74.230000000000004 109.302 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 96.8 mt -47.35 -48.11 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 75.319999999999993 109.308 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.488 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -70.23 -56.3 7.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 75.409999999999997 109.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.473 HG23 ' CD1' ' A' ' 39' ' ' LEU . 10.3 mt -45.16 -26.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 75.319999999999993 109.341 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 88' ' ' ALA . . . -86.02 -72.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 70.540000000000006 109.275 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.464 ' CE ' ' HA ' ' A' ' 72' ' ' MET . 4.2 mtpp -46.83 -59.96 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 71.209999999999994 109.303 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.479 HG12 ' CZ ' ' A' ' 19' ' ' PHE . 98.4 t -42.47 -30.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 74.230000000000004 109.336 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 472' ' ' PHE . 7.4 t -82.95 -67.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 60.210000000000001 110.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.438 ' HD3' ' CG2' ' A' ' 474' ' ' VAL . 0.1 OUTLIER -40.64 -29.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 75.010000000000005 110.289 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.429 ' SD ' ' CD2' ' A' ' 71' ' ' LEU . 30.6 mtp -57.96 -47.06 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 73.340000000000003 111.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 46.6 t80 -58.71 -25.37 62.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 74.329999999999998 110.985 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 52.7 m -80.33 -15.09 57.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 109.995 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.438 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 58.5 t -96.71 -52.38 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 75.129999999999995 109.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -38.49 -34.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.322 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 73.209999999999994 110.269 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.419 ' N ' ' HG3' ' A' ' 8' ' ' GLN . 4.9 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.411 -0.218 . . . . 74.549999999999997 110.411 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -53.83 -31.86 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.349999999999994 110.294 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -66.51 -27.25 67.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 74.319999999999993 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 5' ' ' THR . 2.7 mt-30 -83.41 -39.77 20.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 73.319999999999993 110.288 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.517 ' CG2' ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -60.99 -30.19 47.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 74.409999999999997 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -16.66 63.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 65.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 67.8 mt-10 -74.4 -68.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 75.129999999999995 110.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 72' ' ' MET . 43.5 m-85 -51.51 -20.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 75.299999999999997 110.967 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -50.81 -44.32 59.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 75.019999999999996 109.317 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -69.92 -53.54 17.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 64.200000000000003 110.318 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -50.91 -23.02 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 75.25 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 27' ' ' ILE . 9.2 t80 -78.58 -34.04 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 71.010000000000005 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.37 -16.54 64.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 73.439999999999998 109.271 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 36.7 mt -56.85 -37.51 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 71.030000000000001 109.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 38.4 m-85 -107.75 -45.9 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 73.219999999999999 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.501 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -58.12 86.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 73.409999999999997 109.296 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' PHE . 39.5 mmtt -58.55 -67.56 0.35 Allowed 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 123.627 1.68 . . . . 71.25 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -79.09 -21.28 46.93 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.903 -1.046 . . . . 75.0 109.991 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m120 71.81 57.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 72.140000000000001 109.327 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 21.6 p30 -93.24 -13.24 28.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 75.400000000000006 109.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.439 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 96.59 35.84 5.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 71.299999999999997 110.98 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -169.08 113.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 73.549999999999997 110.054 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 16' ' ' PHE . 26.5 mt -95.97 98.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 71.420000000000002 109.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.23 162.86 24.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 63.149999999999999 109.978 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.466 ' CB ' HG11 ' A' ' 48' ' ' VAL . 2.7 t -57.66 -16.96 12.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 75.450000000000003 110.033 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -25.24 29.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 110.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.499 ' O ' ' CG2' ' A' ' 34' ' ' THR . 38.1 mt-10 -90.53 -40.19 12.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 74.109999999999999 110.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' CD2' HG12 ' A' ' 48' ' ' VAL . 1.1 tt -62.97 -49.82 73.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 72.019999999999996 109.314 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -67.83 -12.63 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 75.230000000000004 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -71.82 -29.26 64.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 75.5 110.394 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.56 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.2 t -89.23 -61.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 72.420000000000002 109.298 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.408 ' N ' HG13 ' A' ' 35' ' ' VAL . 69.8 mtp -37.85 -52.74 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' SER . 5.2 ptm180 -62.38 -40.61 97.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 74.299999999999997 110.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' VAL . 15.5 m -60.83 -29.07 69.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 71.420000000000002 109.992 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.494 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 14.5 mt -76.32 -21.47 56.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 72.329999999999998 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.24 1.54 8.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 61.340000000000003 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 mt -81.25 -174.0 4.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 71.319999999999993 109.29 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.465 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 3.6 t -164.2 61.3 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 64.25 109.982 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' A' ' 42' ' ' SER . 18.4 Cg_endo -74.97 142.4 27.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 75.430000000000007 111.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m -87.45 140.43 29.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 74.329999999999998 109.947 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 17.5 tt0 -48.13 -28.12 2.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 75.420000000000002 110.291 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.67 -49.48 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 65.019999999999996 109.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.15 -51.34 12.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 73.450000000000003 110.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.466 HG11 ' CB ' ' A' ' 29' ' ' SER . 54.7 t -40.48 -34.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 73.230000000000004 109.26 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 89.1 m-20 -66.77 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 71.200000000000003 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -56.37 -17.82 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 73.310000000000002 109.301 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.502 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.6 tm? -76.62 -56.41 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 74.450000000000003 109.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 ptp -75.9 -14.23 60.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 62.229999999999997 111.002 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -83.93 -8.06 59.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 72.019999999999996 109.282 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.469 ' C ' ' CD1' ' A' ' 55' ' ' ILE . 7.8 mt-10 -93.36 -6.75 46.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 65.040000000000006 110.288 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.471 ' CG2' HD11 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -117.1 -48.16 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 72.409999999999997 109.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 2.1 t0 -39.87 120.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 64.420000000000002 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.8 t -88.58 -12.52 10.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 CA-C-O 123.616 1.674 . . . . 74.430000000000007 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 47.0 p-10 -117.71 -8.02 10.93 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.887 -1.054 . . . . 72.549999999999997 109.97 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.486 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 60.89 39.47 96.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 72.109999999999999 110.989 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.435 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 31.3 p-10 -91.64 24.55 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 75.329999999999998 109.291 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.637 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 58.9 t60 48.07 37.16 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 71.530000000000001 109.572 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 40.4 mt-30 -159.51 149.94 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 71.209999999999994 110.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.85 127.03 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 74.430000000000007 109.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.524 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 9.6 mt-10 -92.75 178.86 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 74.430000000000007 110.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.6 t80 -77.38 -13.29 59.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 73.140000000000001 110.999 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.4 p -91.99 -44.22 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 72.200000000000003 109.979 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -68.09 -55.75 11.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 74.540000000000006 110.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -49.42 -48.52 47.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 74.120000000000005 110.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -67.41 -32.95 74.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 72.230000000000004 109.297 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.45 -15.52 63.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 74.340000000000003 109.3 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.471 HD11 ' CG2' ' A' ' 55' ' ' ILE . 3.5 tt -79.65 -54.49 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 73.319999999999993 109.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.437 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.7 OUTLIER -52.96 -26.16 14.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 74.150000000000006 110.966 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -107.27 30.75 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 75.209999999999994 110.047 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 75.230000000000004 110.273 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.559 ' CD2' ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.329 -0.619 . . . . 74.510000000000005 109.329 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -46.78 -28.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 72.340000000000003 109.3 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 6.7 mm-40 -73.66 -49.99 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 91' ' ' VAL . . . -74.17 -12.79 60.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 72.340000000000003 109.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 85' ' ' LEU . 13.6 t80 -71.69 -49.64 37.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 65.420000000000002 110.975 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -77.43 -33.94 54.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 72.25 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -57.0 -49.19 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 65.030000000000001 109.337 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 2.6 m-85 -66.37 -38.24 87.12 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 123.625 1.678 . . . . 74.340000000000003 111.04 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.32 99.59 2.45 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 117.899 -1.048 . . . . 52.32 109.985 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -85.53 -32.95 21.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 75.450000000000003 109.287 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.23 -46.42 28.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 70.430000000000007 109.3 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.03 77.24 1.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.495 1.122 . . . . 73.140000000000001 111.012 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -140.17 10.87 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 74.329999999999998 109.271 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 68.95 20.57 74.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 64.439999999999998 110.989 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.0 mt -149.9 110.64 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 72.540000000000006 109.31 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.434 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 63.8 mt -76.21 103.82 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.2 p -72.29 176.96 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 70.420000000000002 109.979 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -46.32 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 70.519999999999996 109.261 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -40.76 -66.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 74.010000000000005 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 103' ' ' ALA . 41.3 mt-10 -38.26 -29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 71.230000000000004 110.286 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 103' ' ' ALA . 0.4 OUTLIER -93.44 -72.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 109.249 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.482 ' CG ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -47.62 -56.49 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 75.299999999999997 109.313 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -47.01 -40.32 14.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 64.120000000000005 109.634 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.584 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -68.48 -46.77 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 61.5 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.477 ' O ' ' CG1' ' A' ' 112' ' ' ILE . 1.2 mt -60.61 -28.71 68.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 73.120000000000005 109.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 10.6 m -81.99 -9.36 59.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 75.430000000000007 110.373 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.494 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -83.65 -12.47 55.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 72.349999999999994 109.952 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 109' ' ' LEU . 5.4 pt -97.74 -32.11 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 75.109999999999999 109.278 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 143.42 -37.11 1.5 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 73.329999999999998 111.022 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.475 ' CG ' ' HB3' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -58.25 174.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 74.310000000000002 110.312 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 1.7 pttp -151.83 128.7 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 74.340000000000003 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 8.2 mt -126.22 128.89 47.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 74.519999999999996 109.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.4 p -73.67 163.85 27.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 63.329999999999998 110.362 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 3.9 m-20 -54.07 -44.69 71.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 75.140000000000001 109.287 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.19 -21.29 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 74.230000000000004 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 116' ' ' LEU . 8.4 mm-40 -81.29 -64.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 73.430000000000007 110.341 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.518 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 1.0 OUTLIER -57.65 -50.62 76.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 74.019999999999996 109.307 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.518 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 14.7 t70 -54.8 -25.15 26.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 71.420000000000002 109.241 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.28 -25.45 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.340000000000003 109.305 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.437 ' HE3' ' CD1' ' A' ' 458' ' ' LEU . 38.0 ttm -72.23 -38.38 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.140000000000001 111.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 129' ' ' SER . 9.8 mt -65.14 -57.0 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 75.319999999999993 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.426 ' HA ' ' OG ' ' A' ' 129' ' ' SER . 34.5 mtt-85 -38.02 -29.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 75.349999999999994 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.7 mm-40 -48.26 -50.85 28.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.523 ' CB ' ' HB3' ' A' ' 142' ' ' ALA . 19.8 m -132.1 15.66 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 75.310000000000002 109.317 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 125' ' ' LEU . 38.3 p -105.45 4.88 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 75.219999999999999 109.982 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' SER . 26.4 t70 37.32 51.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 75.340000000000003 109.338 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 47.56 47.71 23.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 70.420000000000002 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' SER . 47.7 t -96.44 -69.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 71.230000000000004 109.982 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.43 -12.91 1.81 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 73.540000000000006 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.41 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 30.3 mt-10 -148.06 169.39 20.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 63.420000000000002 110.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.455 ' CD1' HD11 ' A' ' 143' ' ' LEU . 5.9 pt -137.6 130.52 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 74.200000000000003 109.353 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -99.32 -179.85 4.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 72.349999999999994 109.246 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.42 ' HB ' ' CE2' ' A' ' 89' ' ' PHE . 5.7 tp -49.69 -22.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 73.430000000000007 109.278 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -82.88 -56.03 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 73.430000000000007 110.314 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 26.3 mt-30 -68.52 -58.69 3.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 74.310000000000002 110.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 136' ' ' ASN . 12.5 t80 -43.3 -49.68 6.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 70.25 110.97 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.559 ' CB ' ' CD2' ' A' ' 85' ' ' LEU . . . -55.24 -35.28 64.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 73.140000000000001 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.523 ' HB3' ' CB ' ' A' ' 128' ' ' VAL . . . -52.53 -38.53 59.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 71.150000000000006 109.315 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.456 ' CD2' HG23 ' A' ' 128' ' ' VAL . 55.2 mt -57.6 -54.2 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 74.019999999999996 109.325 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 144' ' ' LEU . 0.6 OUTLIER -62.57 -13.55 32.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 71.109999999999999 109.27 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 74.120000000000005 109.973 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.329 -0.248 . . . . 74.010000000000005 110.329 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.43 ' NZ ' ' OE2' ' A' ' 11' ' ' GLU . 4.9 ptmm? -74.49 -21.57 59.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 74.439999999999998 109.255 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -87.56 -19.71 27.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 71.329999999999998 109.247 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . 0.437 ' CD1' ' HE3' ' A' ' 124' ' ' MET . 0.2 OUTLIER -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 71.150000000000006 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -60.73 -30.22 69.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 75.299999999999997 110.297 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.48 ' HA ' ' CD1' ' A' ' 463' ' ' LEU . 11.1 t30 -61.82 -37.33 84.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 74.439999999999998 109.324 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.471 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -51.6 -28.99 15.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 61.450000000000003 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.564 HG22 ' CE1' ' A' ' 92' ' ' PHE . 13.5 mt -89.28 -39.66 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.140000000000001 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 94.8 mt -44.95 -44.51 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 73.349999999999994 109.349 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.429 ' O ' ' CG2' ' A' ' 468' ' ' VAL . . . -70.4 -55.76 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 72.310000000000002 109.33 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.461 HG22 ' CD1' ' A' ' 39' ' ' LEU . 15.2 mt -48.29 -24.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 72.230000000000004 109.316 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 469' ' ' SER . . . -86.02 -69.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 74.140000000000001 109.262 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 468' ' ' VAL . 17.9 mttt -43.95 -66.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.140000000000001 109.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 464' ' ' ALA . 6.3 m -39.28 -33.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 64.140000000000001 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 466' ' ' ALA . 1.1 t -69.61 -56.42 7.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 64.340000000000003 109.978 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.47 ' CD ' ' HB ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -54.08 -40.56 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 75.140000000000001 110.262 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.465 ' SD ' ' CD2' ' A' ' 71' ' ' LEU . 44.3 mtp -48.32 -29.12 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 65.510000000000005 110.958 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 46.6 t80 -89.03 -23.16 22.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 72.430000000000007 110.999 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 470' ' ' ARG . 1.0 OUTLIER -92.01 -2.33 56.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 70.150000000000006 109.978 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.47 ' HB ' ' CD ' ' A' ' 470' ' ' ARG . 13.0 p -109.51 -47.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 109.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 474' ' ' VAL . 0.1 OUTLIER -39.49 -34.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 73.530000000000001 109.283 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 75.049999999999997 110.307 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.2 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.412 -0.218 . . . . 74.25 110.412 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -40.97 -39.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 75.340000000000003 110.264 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -68.11 -44.56 75.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 71.120000000000005 110.278 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' THR . 27.5 mm100 -56.88 -33.62 67.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 74.329999999999998 110.347 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.442 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.9 mm -65.72 -22.09 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 109.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.18 -13.32 53.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 73.319999999999993 109.325 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 23.2 mt-10 -79.19 -62.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.219999999999999 110.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -53.98 -23.66 14.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 65.25 110.99 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.9 mttt -54.44 -41.35 69.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 74.109999999999999 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 17' ' ' ALA . 18.8 mm-40 -71.44 -55.88 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 73.409999999999997 110.304 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -50.56 -23.02 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 75.310000000000002 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.603 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 12.2 t80 -79.7 -33.11 41.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 71.420000000000002 110.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -67.33 -20.7 65.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 72.129999999999995 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 43.2 mt -50.73 -37.77 43.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 75.349999999999994 109.281 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' HB ' ' A' ' 35' ' ' VAL . 14.1 m-85 -107.61 -52.25 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 74.310000000000002 111.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.603 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -47.04 94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 71.299999999999997 109.315 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' PHE . 9.2 mmtp -69.84 -66.84 0.54 Allowed 'General case' 0 C--O 1.215 -0.75 0 CA-C-O 123.643 1.687 . . . . 73.219999999999999 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.92 -10.13 59.72 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.908 -1.044 . . . . 73.120000000000005 109.984 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m120 59.66 59.84 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 63.219999999999999 109.292 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -99.58 -17.06 18.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 72.430000000000007 109.314 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 97.57 39.8 3.82 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 60.549999999999997 110.998 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.69 111.75 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.781 . . . . 71.310000000000002 109.999 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.501 HD13 ' CE1' ' A' ' 16' ' ' PHE . 63.0 mt -97.41 97.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 72.329999999999998 109.316 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -66.32 163.09 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 64.129999999999995 109.978 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.531 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 1.4 t -56.15 -18.0 8.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 63.520000000000003 109.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -24.29 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 72.299999999999997 110.004 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -90.54 -28.65 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 74.439999999999998 110.349 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -77.23 -47.46 20.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 74.310000000000002 109.275 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.412 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -68.19 -12.47 61.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 74.140000000000001 109.347 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.423 ' CG2' ' CE ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.32 -25.35 63.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 73.140000000000001 110.435 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.574 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.0 t -91.35 -62.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 72.019999999999996 109.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.517 ' HE3' ' CG ' ' A' ' 472' ' ' PHE . 90.1 mtp -38.38 -50.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 73.409999999999997 110.979 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' A' ' 38' ' ' SER . 7.9 ptm180 -66.65 -39.18 88.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 75.230000000000004 110.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' VAL . 15.4 m -58.89 -24.56 62.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 73.310000000000002 110.006 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 16.0 mt -82.42 -19.69 38.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 74.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.99 2.93 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.145 . . . . 70.540000000000006 110.987 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 HD12 ' CA ' ' A' ' 36' ' ' MET . 15.5 mt -80.93 -176.19 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 73.25 109.255 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 70.7 m -162.44 61.43 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 73.319999999999993 110.016 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.0 145.25 31.19 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 65.040000000000006 111.022 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -90.56 140.46 29.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 64.019999999999996 109.976 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.3 tt0 -45.08 -28.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 73.109999999999999 110.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.58 -49.03 76.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 55.100000000000001 109.296 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -51.35 11.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.530000000000001 110.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 43' ' ' PRO . 54.4 t -40.35 -38.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 75.239999999999995 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 91.1 m-20 -63.47 -63.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 71.219999999999999 109.288 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -57.4 -17.31 12.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 72.530000000000001 109.281 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.484 HD11 ' CE ' ' A' ' 471' ' ' MET . 0.2 OUTLIER -78.41 -51.59 9.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 73.109999999999999 109.312 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.431 ' CE ' ' O ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -80.99 -11.68 59.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 74.200000000000003 110.943 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ASN . 5.9 m-80 -88.13 -7.62 56.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 63.109999999999999 109.28 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -90.69 -7.43 52.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 73.340000000000003 110.283 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 71' ' ' LEU . 5.0 mm -117.72 -48.01 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 75.319999999999993 109.272 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 1.2 t0 -39.08 114.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.9 t -78.79 -7.05 10.09 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 CA-C-O 123.639 1.685 . . . . 74.120000000000005 109.313 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -123.64 -21.2 5.29 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 117.909 -1.043 . . . . 75.540000000000006 110.009 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.28 52.81 24.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 53.130000000000003 110.981 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 34.9 p-10 -100.97 13.03 36.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 73.420000000000002 109.274 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.644 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 51.3 t60 66.07 28.4 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 73.049999999999997 109.576 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 44.1 mt-30 -156.69 147.96 22.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 75.439999999999998 110.291 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.8 129.1 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.010000000000005 109.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.426 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -95.3 173.06 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 64.349999999999994 110.318 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.556 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.9 t80 -71.0 -12.98 61.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 75.349999999999994 110.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 t -92.3 -41.41 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 72.409999999999997 110.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' OE2' ' OD2' ' A' ' 58' ' ' ASP . 29.7 mt-10 -70.85 -48.76 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 73.549999999999997 110.328 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -57.13 -41.44 79.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 73.140000000000001 110.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -72.59 -33.19 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 72.140000000000001 109.326 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.46 -15.94 60.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 18.5 tp -72.56 -51.17 20.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 73.430000000000007 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.429 ' CE ' ' CD ' ' A' ' 467' ' ' LYS . 3.3 mmt -55.38 -32.42 62.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 72.140000000000001 111.004 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 t -89.78 18.4 5.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 74.409999999999997 109.971 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.319999999999993 110.344 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.481 ' CD1' ' HB1' ' A' ' 141' ' ' ALA . 7.0 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.304 -0.628 . . . . 71.310000000000002 109.304 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 pp -57.58 -46.99 83.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 73.540000000000006 109.357 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.526 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 31.0 mm-40 -52.6 -44.05 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 74.400000000000006 110.279 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.463 ' HB1' ' CB ' ' A' ' 466' ' ' ALA . . . -80.7 -23.71 39.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 75.120000000000005 109.306 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' LEU . 9.1 t80 -67.46 -64.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 72.140000000000001 111.012 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -60.54 -34.55 74.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 71.439999999999998 109.326 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 2.3 t -58.24 -56.44 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 74.439999999999998 109.297 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.5 m-85 -63.75 -43.01 97.71 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.638 1.685 . . . . 75.230000000000004 111.044 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.63 98.8 1.97 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.953 -1.022 . . . . 74.120000000000005 109.949 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -30.02 21.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 72.450000000000003 109.301 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -78.23 -43.51 28.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 72.239999999999995 109.292 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.44 78.88 1.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 110.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.41 11.11 2.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 71.430000000000007 109.313 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.472 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 69.15 17.74 72.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.445 1.091 . . . . 74.219999999999999 110.963 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.472 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.4 mt -149.57 112.68 4.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 0.78 . . . . 74.239999999999995 109.339 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.453 HD12 ' CB ' ' A' ' 92' ' ' PHE . 61.9 mt -79.24 105.33 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 74.140000000000001 109.277 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.6 t -70.06 -176.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 109.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -54.78 -67.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 74.349999999999994 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.466 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -42.08 -65.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 62.25 109.259 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' ALA . 36.7 mt-10 -38.78 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 71.209999999999994 110.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 102' ' ' ALA . 2.7 tp -90.46 -72.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 74.140000000000001 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.476 ' HG2' ' CG2' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -46.23 -59.31 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 71.329999999999998 109.298 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.26 -38.27 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 109.576 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.568 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -73.36 -38.85 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 62.32 109.248 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 106' ' ' LYS . 1.9 mt -67.38 -25.26 65.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 109.341 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 m -86.6 -10.42 53.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 64.420000000000002 110.404 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.482 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -84.67 -1.67 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 71.329999999999998 109.992 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.498 ' CD1' ' CG ' ' A' ' 461' ' ' LYS . 8.3 pt -112.53 -32.91 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 71.530000000000001 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.36 -32.25 1.38 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 50.399999999999999 111.006 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -56.62 173.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 65.450000000000003 110.299 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -159.36 116.13 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 72.109999999999999 109.313 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.469 HD13 ' CE ' ' A' ' 124' ' ' MET . 41.8 mt -127.68 137.51 52.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 74.230000000000004 109.3 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 120' ' ' GLU . 25.2 p -69.58 151.31 46.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 75.319999999999993 110.396 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -51.59 -23.67 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 72.510000000000005 109.319 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.32 -31.3 21.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 61.549999999999997 109.283 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 117' ' ' THR . 12.9 mm-40 -75.15 -28.5 60.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 75.540000000000006 110.258 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 106' ' ' LYS . 9.2 p -84.81 -53.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 71.099999999999994 109.291 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.459 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 7.4 t0 -49.47 -22.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 71.219999999999999 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 121' ' ' VAL . 4.1 t70 -90.86 -32.51 16.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 64.319999999999993 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.469 ' CE ' HD13 ' A' ' 116' ' ' LEU . 27.9 ttm -60.64 -33.39 72.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 127' ' ' GLU . 0.3 OUTLIER -69.33 -53.8 17.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 75.109999999999999 109.323 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 125' ' ' LEU . 17.2 mtt180 -35.18 -33.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 73.109999999999999 110.274 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.9 mm-40 -41.99 -50.73 4.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 73.400000000000006 110.276 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.49 ' CB ' ' HB1' ' A' ' 142' ' ' ALA . 34.2 m -132.79 10.51 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 73.219999999999999 109.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.2 p -95.34 10.99 34.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 73.140000000000001 110.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.0 t70 45.74 39.14 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 74.549999999999997 109.264 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.2 35.05 91.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 74.549999999999997 110.975 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' SER . 89.9 p -95.06 -80.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 74.439999999999998 110.002 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.56 -22.14 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 42.25 111.0 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 25.5 mt-10 -117.85 176.66 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 75.120000000000005 110.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.436 ' HB ' ' N ' ' A' ' 140' ' ' PHE . 2.5 pt -149.91 121.73 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.549999999999997 109.344 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 138' ' ' GLN . 0.2 OUTLIER -87.46 174.81 8.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 73.239999999999995 109.304 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 85' ' ' LEU . 5.3 tp -47.42 -24.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.319999999999993 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.42 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 3.7 mm-40 -83.95 -57.66 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 75.219999999999999 110.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 23.0 mt-30 -62.77 -56.07 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 73.329999999999998 110.276 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.436 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 38.4 t80 -43.1 -48.91 6.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 75.129999999999995 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.481 ' HB1' ' CD1' ' A' ' 85' ' ' LEU . . . -61.96 -32.79 73.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 73.219999999999999 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 139' ' ' GLN . . . -48.84 -44.35 39.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 54.009999999999998 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.425 HD12 ' CG2' ' A' ' 128' ' ' VAL . 0.7 OUTLIER -57.33 -41.51 80.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 75.319999999999993 109.319 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.58 -20.67 62.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 73.329999999999998 109.302 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 142' ' ' ALA . 3.5 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 74.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.276 -0.268 . . . . 74.409999999999997 110.276 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.425 ' HA ' ' NH2' ' A' ' 459' ' ' ARG . 0.2 OUTLIER -57.81 -26.36 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 70.450000000000003 109.337 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -85.47 -19.98 30.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.409999999999997 109.289 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -52.8 58.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.439999999999998 109.3 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.425 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 2.4 ptp85 -66.77 -25.81 66.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 72.299999999999997 110.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 11' ' ' GLU . 14.8 t30 -67.83 -29.9 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 54.130000000000003 109.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.498 ' CG ' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -56.45 -27.0 55.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 74.140000000000001 109.287 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.481 HG23 ' CE1' ' A' ' 92' ' ' PHE . 8.6 mt -88.77 -32.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.5 109.258 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -43.53 50.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 74.120000000000005 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -70.33 -61.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 75.230000000000004 109.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.473 ' CD1' HG22 ' A' ' 112' ' ' ILE . 22.9 mt -47.92 -24.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 75.040000000000006 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.463 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . . . -83.24 -71.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.092 . . . . 75.510000000000005 109.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 470' ' ' ARG . 16.8 mttp -51.85 -63.05 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 73.049999999999997 109.308 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 467' ' ' LYS . 58.4 t -38.75 -44.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 72.109999999999999 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 16.8 t -66.69 -46.88 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 75.230000000000004 110.035 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.5 tmt_? -55.2 -43.79 74.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 110.288 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.484 ' CE ' HD11 ' A' ' 51' ' ' LEU . 5.0 mtm -46.8 -23.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 74.430000000000007 111.005 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 7.2 t80 -88.51 -30.45 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 65.200000000000003 110.993 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 470' ' ' ARG . 3.6 t -85.15 -2.32 57.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 61.109999999999999 110.017 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.422 HG21 ' NH1' ' A' ' 470' ' ' ARG . 10.8 p -111.05 -48.89 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 74.140000000000001 109.317 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.45 -36.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 73.450000000000003 109.308 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 74.519999999999996 110.289 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.424 -0.213 . . . . 71.319999999999993 110.424 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -52.13 -33.65 40.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 75.540000000000006 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.72 -27.19 63.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 73.439999999999998 110.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -75.4 -39.28 59.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.030000000000001 110.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.638 ' CG2' ' CZ ' ' A' ' 65' ' ' PHE . 1.7 mm -63.75 -21.33 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 73.439999999999998 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.29 -12.61 60.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 75.409999999999997 109.257 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 5.8 mm-40 -84.53 -70.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 71.120000000000005 110.315 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -40.67 -28.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 74.109999999999999 111.01 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mttt -47.37 -48.53 25.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 74.109999999999999 109.324 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -58.04 -37.07 73.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 75.439999999999998 110.321 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.476 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -72.47 -15.44 61.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 72.439999999999998 109.272 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.9 t80 -82.54 -37.05 25.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 73.450000000000003 111.014 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -21.02 66.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 75.209999999999994 109.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 54.1 mt -49.09 -42.67 39.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 75.430000000000007 109.32 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.54 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 18.6 m-85 -106.5 -51.44 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 72.400000000000006 111.025 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.582 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.78 92.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 64.319999999999993 109.272 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' PHE . 41.3 mmtt -70.52 -65.06 0.78 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.633 1.682 . . . . 74.519999999999996 109.316 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -75.91 -6.17 49.58 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 117.905 -1.045 . . . . 71.219999999999999 109.962 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 49.24 56.91 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 73.400000000000006 109.294 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 17.0 p-10 -90.06 -20.93 22.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 65.439999999999998 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.14 30.34 3.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 73.099999999999994 111.025 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.77 111.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 74.5 110.002 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.566 HD12 ' CE1' ' A' ' 16' ' ' PHE . 47.4 mt -86.56 107.81 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 75.25 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 p -67.37 172.34 5.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 72.129999999999995 109.999 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.474 ' CB ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -72.53 -34.24 67.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 64.349999999999994 110.03 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -20.44 61.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 71.299999999999997 109.996 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 34' ' ' THR . 46.3 mt-10 -90.71 -46.33 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 75.019999999999996 110.276 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' CD2' HG12 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -59.26 -41.87 89.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.25 109.345 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -72.59 -12.32 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 109.336 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -70.35 -30.45 67.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 74.129999999999995 110.384 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.54 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -87.62 -55.89 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 73.439999999999998 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.411 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 68.2 mtp -38.73 -56.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 75.219999999999999 111.004 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 5.3 ptp180 -62.82 -35.12 78.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 73.239999999999995 110.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -55.85 -36.79 67.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 71.049999999999997 110.035 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 HD12 ' CG2' ' A' ' 465' ' ' ILE . 11.6 mt -71.63 -19.12 62.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 61.350000000000001 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.34 5.8 9.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.548 1.155 . . . . 64.010000000000005 110.968 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.0 mt -81.53 -174.48 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 74.310000000000002 109.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.463 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 20.1 t -163.32 61.41 1.03 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 64.219999999999999 110.036 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.99 147.91 34.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 64.129999999999995 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -91.91 140.46 29.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 61.399999999999999 110.025 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.3 tt0 -46.22 -28.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 75.129999999999995 110.274 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.83 77.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 65.109999999999999 109.292 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.5 mm-40 -75.2 -51.36 13.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 75.530000000000001 110.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.474 HG11 ' CB ' ' A' ' 29' ' ' SER . 51.8 t -40.59 -39.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 74.310000000000002 109.298 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 93.0 m-20 -65.02 -61.36 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 75.209999999999994 109.312 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -15.14 11.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 73.019999999999996 109.26 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -78.22 -55.94 4.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 75.530000000000001 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.436 ' CE ' ' HA ' ' A' ' 62' ' ' GLN . 8.0 ptm -77.75 -14.59 59.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 111.032 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 8.0 m-20 -82.55 -9.81 59.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 75.510000000000005 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -85.7 -12.84 50.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 72.349999999999994 110.3 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.438 ' CG2' ' HB2' ' A' ' 71' ' ' LEU . 1.9 mm -117.52 -38.25 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 70.120000000000005 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.2 t0 -37.37 114.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 72.230000000000004 109.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 89.5 t -90.27 -17.32 8.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 123.642 1.687 . . . . 63.520000000000003 109.364 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 47.4 p-10 -109.57 -6.17 15.47 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.892 -1.051 . . . . 62.340000000000003 109.965 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.69 42.41 77.63 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 73.140000000000001 111.045 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.405 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 39.9 p-10 -97.25 12.37 33.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 72.299999999999997 109.327 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.67 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 29.8 t60 64.97 30.65 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 72.409999999999997 109.648 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.45 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 38.9 mt-30 -150.48 -177.77 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 74.310000000000002 110.322 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.14 126.45 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 72.019999999999996 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.07 175.29 6.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 75.25 110.319 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.638 ' CZ ' ' CG2' ' A' ' 9' ' ' ILE . 4.6 t80 -75.93 -10.57 59.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.040000000000006 111.033 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.533 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 58.7 m -95.16 -28.75 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 74.329999999999998 109.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.476 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 11.1 mt-10 -87.82 -48.62 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 74.099999999999994 110.259 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -59.05 -43.06 91.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 72.310000000000002 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -70.16 -24.64 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 75.299999999999997 109.338 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.568 ' N ' ' CD1' ' A' ' 69' ' ' LEU . . . -86.13 -15.38 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 65.25 109.339 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.483 ' CD2' ' SD ' ' A' ' 471' ' ' MET . 8.9 tp -71.31 -50.09 36.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 71.310000000000002 109.277 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -56.55 -16.76 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 70.400000000000006 110.993 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -100.98 -16.39 17.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 65.340000000000003 109.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.340000000000003 110.313 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.529 ' CD1' ' CD2' ' A' ' 140' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.319 -0.623 . . . . 75.430000000000007 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.69 -35.46 74.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 74.409999999999997 109.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.524 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 28.3 mm-40 -66.56 -36.54 82.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 72.129999999999995 110.33 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.406 ' HB3' ' CB ' ' A' ' 466' ' ' ALA . . . -90.18 -12.87 36.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 74.099999999999994 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' LEU . 16.6 t80 -75.69 -63.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 75.310000000000002 110.988 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -10.0 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.219999999999999 109.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 1.8 t -84.0 -47.28 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 74.439999999999998 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 3.9 m-85 -73.93 -38.51 64.26 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.596 1.665 . . . . 74.430000000000007 111.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.12 102.18 4.83 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.928 -1.034 . . . . 72.409999999999997 110.0 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.08 -32.83 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 109.269 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.99 -44.51 30.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.219999999999999 109.288 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.58 75.92 1.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 74.450000000000003 111.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.437 ' HB3' ' OD1' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -130.63 4.69 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 71.120000000000005 109.297 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.11 6.09 89.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 61.049999999999997 110.96 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 136' ' ' ASN . 1.4 mt -142.31 121.32 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 63.109999999999999 109.277 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 92' ' ' PHE . 53.9 mt -83.71 107.09 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 72.230000000000004 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.4 t -70.13 174.29 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 71.310000000000002 110.023 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -50.91 -66.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 75.150000000000006 109.256 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.488 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -43.77 -64.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 75.239999999999995 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE1' ' HB3' ' A' ' 95' ' ' ASN . 79.3 mt-10 -41.03 -25.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 75.209999999999994 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.469 ' N ' ' C ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -94.46 -73.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 75.120000000000005 109.325 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.488 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -42.69 -56.45 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 71.299999999999997 109.323 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -48.63 -36.66 16.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.595 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.554 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -73.04 -42.11 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 72.439999999999998 109.252 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.408 HD13 ' CB ' ' A' ' 114' ' ' GLU . 1.1 mm? -61.07 -34.91 75.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 75.549999999999997 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -76.16 -30.37 58.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 73.450000000000003 110.371 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -14.24 29.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 70.049999999999997 109.974 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.466 ' CD1' HD22 ' A' ' 18' ' ' LEU . 16.7 pt -110.63 -33.15 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 75.230000000000004 109.323 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.22 -39.16 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.455 1.097 . . . . 75.519999999999996 111.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.408 ' CB ' HD13 ' A' ' 109' ' ' LEU . 20.9 mm-40 -50.28 114.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 72.209999999999994 110.318 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -113.28 97.99 6.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 72.400000000000006 109.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.472 ' CD2' ' HE1' ' A' ' 124' ' ' MET . 5.5 mp -113.13 142.69 45.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLU . 20.9 p -70.85 148.24 48.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 62.329999999999998 110.388 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -43.84 -29.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 64.430000000000007 109.318 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 117' ' ' THR . . . -80.25 -46.73 15.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 73.219999999999999 109.26 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 117' ' ' THR . 45.8 mm-40 -55.02 -45.33 75.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 74.219999999999999 110.342 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 7.6 p -72.64 -53.63 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 109.259 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.461 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 8.0 t70 -49.32 -23.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 74.329999999999998 109.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 121' ' ' VAL . 1.5 t70 -90.92 -33.92 15.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 73.120000000000005 109.281 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.472 ' HE1' ' CD2' ' A' ' 116' ' ' LEU . 27.1 ttm -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 75.239999999999995 110.97 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 127' ' ' GLU . 6.1 mt -70.0 -52.14 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.549999999999997 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.429 ' HA ' ' OG ' ' A' ' 129' ' ' SER . 34.7 mtt180 -36.99 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 110.318 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 125' ' ' LEU . 51.1 mt-10 -46.54 -50.63 16.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 71.010000000000005 110.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.497 ' CB ' ' HB3' ' A' ' 142' ' ' ALA . 21.1 m -132.82 14.98 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 73.150000000000006 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.4 p -99.12 -13.61 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 64.420000000000002 110.011 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 46.3 t0 59.05 24.97 13.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 64.230000000000004 109.314 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.82 -5.78 60.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 63.100000000000001 110.999 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' A' ' 133' ' ' GLY . 24.0 p -45.91 -68.61 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 74.209999999999994 110.004 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.484 ' N ' ' OG ' ' A' ' 132' ' ' SER . . . 138.27 -7.84 3.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 73.420000000000002 111.011 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.452 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 23.3 mt-10 -147.39 158.24 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 70.200000000000003 110.3 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.447 HD12 ' CD1' ' A' ' 143' ' ' LEU . 4.0 pt -125.39 122.48 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 74.120000000000005 109.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.447 ' HB3' ' CD2' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.12 177.63 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 72.519999999999996 109.292 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.434 HD12 ' CG ' ' A' ' 89' ' ' PHE . 8.8 tp -49.56 -22.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 136' ' ' ASN . 2.8 mm-40 -84.61 -56.87 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 64.439999999999998 110.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.468 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 25.5 mt-30 -66.01 -57.26 8.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 73.329999999999998 110.296 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.529 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 17.2 t80 -44.74 -46.11 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 64.230000000000004 110.998 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.82 -33.35 70.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 53.109999999999999 109.305 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.497 ' HB3' ' CB ' ' A' ' 128' ' ' VAL . . . -51.82 -43.43 63.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 71.439999999999998 109.26 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.447 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.4 mt -64.0 -45.71 87.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 72.099999999999994 109.346 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.476 ' CD1' HD23 ' A' ' 85' ' ' LEU . 7.9 mt -70.9 -6.98 42.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 73.409999999999997 109.25 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 75.319999999999993 109.968 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 49.2 mmt-85 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.339 -0.245 . . . . 74.409999999999997 110.339 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.525 ' CB ' ' NH2' ' A' ' 459' ' ' ARG . 0.0 OUTLIER -61.32 -17.81 55.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.030000000000001 109.29 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.88 -15.87 27.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 73.530000000000001 109.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -45.37 70.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 74.099999999999994 109.267 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.525 ' NH2' ' CB ' ' A' ' 456' ' ' LYS . 1.3 ptp85 -74.08 -26.24 60.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 73.230000000000004 110.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.472 ' HA ' ' CD1' ' A' ' 463' ' ' LEU . 10.1 t30 -62.14 -34.3 76.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 75.239999999999995 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.447 ' HG3' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -60.03 -26.4 66.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 75.519999999999996 109.313 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.462 HD13 ' CZ ' ' A' ' 92' ' ' PHE . 15.8 mt -89.65 -37.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 74.010000000000005 109.345 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 93.0 mt -42.41 -46.73 4.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 75.340000000000003 109.254 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.477 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -70.46 -59.71 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 75.319999999999993 109.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.472 ' CG2' HD12 ' A' ' 39' ' ' LEU . 90.1 mt -39.29 -31.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 65.299999999999997 109.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 469' ' ' SER . . . -85.98 -70.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 71.150000000000006 109.271 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 469' ' ' SER . 6.5 mttp -42.93 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 74.109999999999999 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 464' ' ' ALA . 4.5 m -38.49 -31.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 72.230000000000004 109.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -77.6 -52.86 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 74.209999999999994 110.027 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -53.41 -42.9 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.308 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.486 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 4.7 mtp -49.46 -22.46 1.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 61.229999999999997 111.017 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 11.0 t80 -90.13 -26.79 20.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 74.510000000000005 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 470' ' ' ARG . 0.9 OUTLIER -90.75 -3.42 57.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 70.010000000000005 109.968 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.438 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 8.8 p -106.52 -49.76 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 74.310000000000002 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.81 -36.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.140000000000001 109.311 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 110.304 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.6 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.393 -0.225 . . . . 74.439999999999998 110.393 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -47.54 -29.71 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 75.140000000000001 110.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.82 -33.68 57.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 73.109999999999999 110.252 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' THR . 26.2 mm100 -69.41 -37.13 77.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 73.099999999999994 110.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.636 ' CG2' ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -63.19 -20.29 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.239999999999995 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.03 -15.48 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 73.319999999999993 109.279 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 34.2 mt-10 -81.36 -62.06 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 70.120000000000005 110.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -51.35 -19.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 73.409999999999997 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.3 mttt -56.15 -46.26 79.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 72.040000000000006 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' CD ' ' CB ' ' A' ' 457' ' ' ALA . 13.3 mt-10 -57.82 -31.13 66.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 74.040000000000006 110.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.47 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -77.52 -16.27 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 71.310000000000002 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CE1' HD11 ' A' ' 27' ' ' ILE . 16.4 t80 -83.75 -34.46 24.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 55.219999999999999 110.994 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.86 -19.48 65.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 65.120000000000005 109.255 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 47.0 mt -52.31 -38.62 59.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 72.099999999999994 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 26.4 m-85 -106.45 -51.82 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 72.409999999999997 110.999 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -51.01 92.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 75.209999999999994 109.251 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' PHE . 24.2 mmtt -68.58 -67.68 0.45 Allowed 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 123.665 1.698 . . . . 71.540000000000006 109.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -76.23 -15.24 60.07 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.901 -1.047 . . . . 71.329999999999998 109.983 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 62.62 63.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 75.439999999999998 109.299 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.7 p30 -97.16 -15.64 20.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 55.219999999999999 109.293 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.433 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 100.16 31.64 5.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 63.109999999999999 111.057 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.34 111.67 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 74.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.561 HD11 ' CE1' ' A' ' 16' ' ' PHE . 31.8 mt -89.11 104.72 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 72.329999999999998 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -69.56 179.68 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.239999999999995 109.96 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.415 ' N ' ' HE2' ' A' ' 52' ' ' MET . 0.1 OUTLIER -70.29 -37.25 74.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 73.019999999999996 109.991 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -19.34 62.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 73.030000000000001 109.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.507 ' O ' ' CG2' ' A' ' 34' ' ' THR . 34.5 mt-10 -90.48 -47.71 7.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 74.109999999999999 110.269 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' CD2' HG13 ' A' ' 48' ' ' VAL . 3.4 tt -59.41 -50.4 74.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 74.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.408 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -66.13 -12.42 55.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 74.519999999999996 109.275 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -70.43 -27.52 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 73.420000000000002 110.364 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.571 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -90.25 -53.95 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 71.129999999999995 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.439 ' CE ' HD13 ' A' ' 41' ' ' LEU . 81.5 mmm -42.0 -51.08 4.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.329999999999998 111.026 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' SER . 16.9 ptp180 -65.44 -40.27 93.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 73.5 110.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 72.5 m -54.73 -29.42 53.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 74.519999999999996 109.998 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.49 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 14.0 mt -81.46 -21.85 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 72.209999999999994 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.01 3.35 8.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 75.420000000000002 111.017 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.439 HD13 ' CE ' ' A' ' 36' ' ' MET . 16.5 mt -78.7 -175.72 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 74.239999999999995 109.273 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.467 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.3 t -162.56 61.1 1.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.040000000000006 110.001 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.03 142.71 28.1 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 75.329999999999998 111.001 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.99 141.85 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 73.120000000000005 109.953 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 36.6 tt0 -44.48 -30.08 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 75.420000000000002 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.99 -50.55 73.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 74.340000000000003 109.291 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.41 -51.33 10.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 70.549999999999997 110.28 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 43' ' ' PRO . 73.0 t -40.61 -34.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 74.400000000000006 109.284 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.443 ' OD1' ' NE2' ' A' ' 61' ' ' HIS . 88.0 m-20 -66.17 -66.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.150000000000006 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -54.09 -18.8 4.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 73.340000000000003 109.272 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -76.09 -55.67 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 72.120000000000005 109.338 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.415 ' HE2' ' N ' ' A' ' 29' ' ' SER . 10.4 ptm -79.95 -8.17 59.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 73.329999999999998 111.017 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 3.1 m-80 -88.21 -8.26 55.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 74.319999999999993 109.324 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.497 ' C ' ' CD1' ' A' ' 55' ' ' ILE . 1.3 mt-10 -92.99 -9.13 41.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 55.32 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.533 ' CD1' ' N ' ' A' ' 55' ' ' ILE . 0.6 OUTLIER -114.85 -43.7 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 74.329999999999998 109.313 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.485 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 6.4 t0 -37.6 113.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 73.439999999999998 109.298 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.441 ' CG1' ' HG2' ' A' ' 67' ' ' GLU . 2.1 p -93.96 -26.69 4.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-O 123.645 1.688 . . . . 65.510000000000005 109.278 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 55.1 p30 -94.86 -9.8 33.24 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.937 -1.03 . . . . 73.109999999999999 109.996 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 63.85 38.99 96.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 63.229999999999997 110.972 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.485 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 33.6 p-10 -101.16 21.3 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 75.310000000000002 109.331 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 59.2 t-80 51.49 43.85 29.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 70.430000000000007 109.573 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 41.5 mt-30 -159.06 179.79 8.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 75.400000000000006 110.265 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.16 124.48 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.310000000000002 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 10.7 mt-10 -96.48 174.48 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.439999999999998 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.636 ' CZ ' ' CG2' ' A' ' 9' ' ' ILE . 2.9 t80 -75.39 -11.57 60.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 75.120000000000005 111.041 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 8.6 t -91.07 -32.57 15.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 72.150000000000006 109.981 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HG2' ' CG1' ' A' ' 57' ' ' VAL . 6.1 mt-10 -85.5 -47.57 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 110.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -58.66 -43.53 89.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 74.219999999999999 111.028 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -74.28 -21.4 59.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 74.540000000000006 109.313 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.574 ' N ' ' CD1' ' A' ' 69' ' ' LEU . . . -84.53 -15.45 45.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 72.109999999999999 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.487 ' CD1' HD13 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -76.97 -53.62 7.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 72.239999999999995 109.272 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.493 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -46.81 -22.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 111.004 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -114.17 37.93 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 64.239999999999995 109.999 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LEU . 4.5 ttt-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 110.259 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.293 -0.632 . . . . 75.409999999999997 109.293 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 89' ' ' PHE . 3.7 pp -57.15 -43.5 82.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.439999999999998 109.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 32.0 mm-40 -56.48 -39.53 73.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 71.040000000000006 110.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.49 ' HB3' ' CB ' ' A' ' 466' ' ' ALA . . . -90.99 -12.34 36.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 75.200000000000003 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 85' ' ' LEU . 48.4 t80 -71.87 -55.64 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 75.340000000000003 111.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -1.24 21.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 71.430000000000007 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -96.3 -35.72 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 74.420000000000002 109.293 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.589 ' CE2' ' CG1' ' A' ' 108' ' ' VAL . 2.6 m-85 -86.48 -35.36 19.67 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 123.634 1.683 . . . . 75.230000000000004 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.09 101.06 5.17 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 117.897 -1.049 . . . . 71.549999999999997 109.948 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -31.97 19.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 73.519999999999996 109.276 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.31 -51.04 12.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 73.239999999999995 109.271 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 94.26 67.72 1.04 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 74.319999999999993 111.011 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -127.15 3.0 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 63.240000000000002 109.317 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 77.58 18.09 78.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 70.209999999999994 111.036 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.0 mt -149.88 115.84 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 75.310000000000002 109.319 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.441 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 55.9 mt -79.61 103.61 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 75.239999999999995 109.32 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.7 t -72.06 173.4 8.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 63.030000000000001 110.028 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -45.63 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 71.239999999999995 109.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.443 ' C ' ' N ' ' A' ' 105' ' ' LEU . . . -41.68 -66.39 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 74.439999999999998 109.349 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -40.69 -27.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 65.129999999999995 110.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 102' ' ' ALA . 41.9 tp -90.56 -73.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 72.239999999999995 109.339 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -45.44 -61.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 75.120000000000005 109.286 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.53 -41.98 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 71.420000000000002 109.616 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.589 ' CG1' ' CE2' ' A' ' 92' ' ' PHE . 1.7 t -68.95 -39.56 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 75.109999999999999 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' LYS . 1.1 mt -61.8 -37.51 84.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.429 ' CG2' ' HG2' ' A' ' 115' ' ' LYS . 52.1 m -75.13 -8.04 55.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 75.129999999999995 110.377 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.49 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -84.34 -19.63 33.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 64.450000000000003 110.023 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.499 ' CD1' ' CD ' ' A' ' 461' ' ' LYS . 5.8 pt -92.47 -26.05 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 75.340000000000003 109.292 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 129.13 1.09 5.82 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.488 1.117 . . . . 72.450000000000003 111.031 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.48 ' CG ' ' HB3' ' A' ' 109' ' ' LEU . 3.6 pt-20 -112.05 121.81 46.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 73.340000000000003 110.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.429 ' HG2' ' CG2' ' A' ' 110' ' ' THR . 5.2 mtmm -109.87 110.64 21.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 74.230000000000004 109.318 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.407 ' CD1' ' HE1' ' A' ' 124' ' ' MET . 75.3 mt -96.75 138.02 34.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 61.340000000000003 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' GLU . 45.4 p -60.47 145.25 49.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 73.340000000000003 110.399 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 2.0 m-20 -42.68 -33.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 75.140000000000001 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 123' ' ' ASP . . . -77.82 -45.02 25.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 73.519999999999996 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' THR . 17.3 mm-40 -54.24 -44.08 71.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 62.299999999999997 110.331 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 7.9 p -78.5 -52.31 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 74.349999999999994 109.283 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 118' ' ' ASP . 23.0 t70 -55.85 -21.19 18.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 65.010000000000005 109.308 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 119' ' ' ALA . 7.1 t0 -91.22 -36.0 14.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 74.549999999999997 109.302 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.407 ' HE1' ' CD1' ' A' ' 116' ' ' LEU . 18.5 ttm -61.6 -32.77 72.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 73.409999999999997 111.036 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 127' ' ' GLU . 4.7 mt -68.89 -56.99 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 72.230000000000004 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 125' ' ' LEU . 25.6 mtt-85 -37.3 -30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 75.040000000000006 110.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.4 mm-40 -45.9 -50.69 14.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 71.5 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.516 ' CB ' ' HB2' ' A' ' 142' ' ' ALA . 31.0 m -132.7 13.67 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 71.239999999999995 109.34 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.0 p -98.47 8.27 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 71.230000000000004 110.003 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 129' ' ' SER . 27.4 t70 39.58 45.2 1.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 72.340000000000003 109.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.04 45.71 71.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 71.209999999999994 110.985 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 129' ' ' SER . 40.8 t -101.71 -74.17 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.767 . . . . 74.109999999999999 110.011 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 147.07 -15.17 1.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 64.299999999999997 110.98 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -134.56 156.71 48.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 72.120000000000005 110.339 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.422 ' HB ' ' N ' ' A' ' 140' ' ' PHE . 2.4 pt -127.53 113.76 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 75.439999999999998 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.48 ' HB3' ' CD2' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -70.89 -173.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 62.399999999999999 109.313 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.52 HD12 ' CD1' ' A' ' 89' ' ' PHE . 4.7 tp -60.58 -24.54 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 74.230000000000004 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.456 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 4.2 mm-40 -83.74 -57.11 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 74.329999999999998 110.303 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 142' ' ' ALA . 24.4 mt-30 -59.39 -53.84 53.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 71.430000000000007 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.467 ' CD2' HD11 ' A' ' 85' ' ' LEU . 11.4 t80 -47.55 -37.27 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.450000000000003 111.01 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.472 ' CB ' ' HG ' ' A' ' 85' ' ' LEU . . . -74.06 -28.71 61.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 73.019999999999996 109.339 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.516 ' HB2' ' CB ' ' A' ' 128' ' ' VAL . . . -53.76 -47.11 71.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 72.200000000000003 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.63 -42.06 87.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 72.140000000000001 109.285 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.415 ' CD1' HD21 ' A' ' 85' ' ' LEU . 4.6 mt -68.1 -14.89 63.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 73.219999999999999 109.27 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 54.43 110.011 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 44.2 mmt-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.303 -0.258 . . . . 75.420000000000002 110.303 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.424 ' HA ' ' NH2' ' A' ' 459' ' ' ARG . 4.5 ptpt -61.95 -27.76 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 73.439999999999998 109.315 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . 0.422 ' CB ' ' CD ' ' A' ' 14' ' ' GLU . . . -82.76 -19.22 38.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 74.230000000000004 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -59.35 4.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 75.310000000000002 109.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 2.0 ptp85 -59.44 -25.4 64.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 73.409999999999997 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 11' ' ' GLU . 6.9 t30 -70.74 -32.22 69.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 64.329999999999998 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.499 ' CD ' ' CD1' ' A' ' 112' ' ' ILE . 2.9 ttmt -56.88 -26.24 58.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 75.120000000000005 109.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 92' ' ' PHE . 39.9 mt -89.51 -29.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 73.450000000000003 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 463' ' ' LEU . 6.3 mp -52.76 -59.71 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 73.519999999999996 109.24 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.493 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -51.89 -58.14 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 71.120000000000005 109.311 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.475 ' CG2' HD13 ' A' ' 39' ' ' LEU . 43.1 mt -44.56 -26.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.329999999999998 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.49 ' CB ' ' HB3' ' A' ' 88' ' ' ALA . . . -85.89 -72.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 74.439999999999998 109.346 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 470' ' ' ARG . 1.7 mptt -44.22 -64.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 74.349999999999994 109.291 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.553 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 34.3 t -44.93 -45.26 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.430000000000007 109.327 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 12.1 t -64.25 -32.62 74.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 74.510000000000005 109.97 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.5 OUTLIER -71.58 -40.56 69.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 74.430000000000007 110.281 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.465 ' CE ' HD11 ' A' ' 51' ' ' LEU . 5.3 mtm -47.46 -28.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 65.239999999999995 111.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 13.7 t80 -88.25 -26.02 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 73.109999999999999 111.048 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 470' ' ' ARG . 4.1 m -89.09 -2.07 58.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 62.5 110.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 475' ' ' LEU . 11.7 p -111.34 -48.57 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 65.519999999999996 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 474' ' ' VAL . 0.1 OUTLIER -39.17 -36.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 73.239999999999995 109.308 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 74.200000000000003 110.327 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.414 -0.217 . . . . 72.450000000000003 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -56.63 -20.58 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 74.150000000000006 110.266 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -83.92 -23.73 31.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 74.010000000000005 110.293 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -81.07 -34.72 32.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 75.310000000000002 110.304 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.463 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 2.0 mm -61.88 -28.03 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 73.439999999999998 109.312 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.59 -12.19 60.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 64.319999999999993 109.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -81.08 -64.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 72.319999999999993 110.298 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -44.97 -25.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 71.209999999999994 110.958 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.0 mttt -55.84 -45.5 78.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 71.409999999999997 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.13 -37.58 80.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 73.239999999999995 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HB1' ' CB ' ' A' ' 464' ' ' ALA . . . -75.02 -15.16 60.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 62.219999999999999 109.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.5 t80 -79.72 -46.49 16.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 73.120000000000005 111.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' LEU . . . -53.33 -29.65 35.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 70.439999999999998 109.319 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 84.2 mt -39.78 -42.18 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 73.420000000000002 109.286 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 21.8 m-85 -109.64 -39.06 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 71.200000000000003 110.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -66.77 84.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 62.539999999999999 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HE3' ' CG2' ' A' ' 34' ' ' THR . 21.0 mmtt -65.39 -67.37 0.45 Allowed 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.605 1.669 . . . . 73.439999999999998 109.345 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -73.2 -16.71 61.41 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 117.942 -1.028 . . . . 72.400000000000006 110.015 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 63.1 62.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 73.120000000000005 109.299 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 19.7 p30 -99.24 -3.6 33.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 75.439999999999998 109.25 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.1 32.88 19.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 74.510000000000005 110.947 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.91 111.75 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 0.741 . . . . 74.140000000000001 110.026 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.575 HD12 ' CE1' ' A' ' 16' ' ' PHE . 30.4 mt -91.68 101.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 72.420000000000002 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 p -68.92 164.01 23.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.43 109.981 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.451 ' CB ' HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -54.93 -41.44 71.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 64.450000000000003 110.0 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -18.21 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 73.140000000000001 109.981 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' O ' ' CG2' ' A' ' 34' ' ' THR . 48.2 mt-10 -90.45 -49.21 6.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 75.019999999999996 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.438 ' CD2' HG11 ' A' ' 48' ' ' VAL . 1.3 tt -58.26 -42.52 86.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 72.219999999999999 109.33 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.88 -12.7 61.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 63.520000000000003 109.307 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -71.77 -29.07 64.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 64.239999999999995 110.358 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.544 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -91.13 -60.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 70.349999999999994 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.41 ' CE ' HD12 ' A' ' 41' ' ' LEU . 80.9 mmm -37.24 -52.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 110.997 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' SER . 11.8 ptp180 -62.86 -42.19 99.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 65.019999999999996 110.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' VAL . 74.1 m -58.59 -26.73 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 65.209999999999994 109.972 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 465' ' ' ILE . 14.5 mt -78.69 -21.19 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 63.340000000000003 109.338 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.28 0.42 8.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.137 . . . . 72.549999999999997 111.014 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.41 HD12 ' CE ' ' A' ' 36' ' ' MET . 33.8 mt -80.01 -176.71 5.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 74.400000000000006 109.283 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.485 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 10.9 t -162.73 60.23 0.98 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.400000000000006 109.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.94 148.33 35.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 75.420000000000002 111.017 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m -91.22 139.84 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.319999999999993 109.978 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 55.2 tt0 -48.38 -27.11 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 75.540000000000006 110.307 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.25 -48.46 75.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 73.319999999999993 109.3 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' HB3' ' CD2' ' A' ' 475' ' ' LEU . 2.0 mt-10 -76.3 -51.42 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.310000000000002 110.314 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 43' ' ' PRO . 52.1 t -40.3 -29.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 53.340000000000003 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 47' ' ' GLU . 85.1 m-20 -74.55 -66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 73.540000000000006 109.319 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -49.95 -22.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 72.530000000000001 109.322 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.525 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 2.8 tt -81.59 -61.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 73.310000000000002 109.315 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.408 ' HE3' ' N ' ' A' ' 29' ' ' SER . 5.2 ptm -63.12 -12.92 30.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 70.439999999999998 110.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -88.51 -13.65 39.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 73.040000000000006 109.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.48 -9.89 59.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.510000000000005 110.288 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.424 ' CG2' ' HB2' ' A' ' 71' ' ' LEU . 2.4 mm -117.89 -43.16 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 74.409999999999997 109.29 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 7.1 t0 -38.3 119.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 64.109999999999999 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 67' ' ' GLU . 2.7 p -92.08 -31.71 4.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 CA-C-O 123.634 1.683 . . . . 74.409999999999997 109.27 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.6 p30 -93.03 -6.95 47.11 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.942 -1.028 . . . . 74.430000000000007 110.007 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.5 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.16 42.14 87.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 63.32 111.009 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.41 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 38.0 p-10 -97.39 12.49 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 73.099999999999994 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.684 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 26.4 t60 64.35 32.65 11.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 64.430000000000007 109.621 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 42.1 mt-30 -153.07 -176.76 5.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.409999999999997 110.327 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.3 126.31 61.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 74.310000000000002 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.472 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 1.2 tt0 -94.71 174.62 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 73.439999999999998 110.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.4 t80 -73.74 -13.45 60.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 73.030000000000001 111.007 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.1 t -89.17 -43.85 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 73.430000000000007 109.96 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG2' ' CG1' ' A' ' 57' ' ' VAL . 11.5 mt-10 -71.85 -47.65 51.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 63.100000000000001 110.319 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -55.05 -43.81 74.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.510000000000005 110.961 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.505 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -72.48 -36.16 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.306 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.62 -14.46 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 75.299999999999997 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.435 ' CD2' ' SD ' ' A' ' 471' ' ' MET . 8.7 tp -76.24 -49.82 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 74.019999999999996 109.249 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.496 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.8 OUTLIER -59.73 -42.96 94.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 72.420000000000002 111.002 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -6.29 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 74.140000000000001 109.965 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.486 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 110.313 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.673 ' CD1' ' CD2' ' A' ' 140' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.294 -0.632 . . . . 74.140000000000001 109.294 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 pp -49.1 -40.06 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 64.420000000000002 109.305 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.42 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 25.5 mm-40 -69.55 -60.04 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.129999999999995 110.253 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.468 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -60.54 -13.8 16.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 53.310000000000002 109.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 85' ' ' LEU . 47.5 t80 -85.61 -45.18 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.5 111.007 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -81.47 -3.18 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 73.239999999999995 109.299 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -98.48 -42.37 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.120000000000005 109.31 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 2.0 m-85 -69.81 -38.33 76.58 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.57 1.653 . . . . 73.040000000000006 111.01 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.7 100.67 2.88 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.899 -1.048 . . . . 63.329999999999998 110.002 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.28 -31.81 20.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 72.530000000000001 109.302 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.456 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -77.37 -45.8 24.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 75.549999999999997 109.282 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.58 77.06 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 73.420000000000002 111.016 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.07 10.21 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 72.409999999999997 109.294 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.512 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 69.53 19.34 74.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 72.140000000000001 111.038 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.3 mt -149.9 110.99 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 63.229999999999997 109.287 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.437 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 60.7 mt -76.29 103.75 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 65.310000000000002 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.71 177.19 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 62.149999999999999 110.027 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -47.18 -70.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 72.120000000000005 109.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.488 ' HA ' ' CG ' ' A' ' 106' ' ' LYS . . . -40.04 -66.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 74.25 109.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 37.0 mt-10 -38.45 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 64.140000000000001 110.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 102' ' ' ALA . 4.0 tp -93.32 -72.96 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 74.109999999999999 109.271 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.488 ' CG ' ' HA ' ' A' ' 103' ' ' ALA . 18.7 ptmt -46.03 -57.42 4.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 73.409999999999997 109.287 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.562 ' CD2' HG21 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -48.39 -41.24 28.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 109.606 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.579 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -64.04 -55.41 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 75.099999999999994 109.256 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -59.19 -22.83 61.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 75.540000000000006 109.328 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.6 m -84.81 -17.34 38.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 73.409999999999997 110.383 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.437 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -75.94 -12.98 60.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 62.399999999999999 109.994 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.483 ' CD1' ' HG2' ' A' ' 461' ' ' LYS . 6.2 pt -108.24 -30.32 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 74.319999999999993 109.251 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 146.78 -30.92 1.51 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 73.340000000000003 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.442 ' HG3' ' CD ' ' A' ' 461' ' ' LYS . 13.1 mt-10 -64.55 110.45 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.746 . . . . 74.239999999999995 110.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -114.25 91.97 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 74.209999999999994 109.275 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 2.6 mp -88.87 135.9 33.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 109.324 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 120' ' ' GLU . 74.9 p -64.85 153.62 39.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 72.450000000000003 110.39 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 25.3 t70 -45.43 -40.32 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 75.430000000000007 109.313 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 123' ' ' ASP . . . -68.4 -39.07 81.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 75.140000000000001 109.269 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 116' ' ' LEU . 14.4 mm-40 -63.79 -60.08 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 73.239999999999995 110.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.478 HG12 ' CE ' ' A' ' 106' ' ' LYS . 7.8 p -59.19 -56.34 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 75.219999999999999 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 118' ' ' ASP . 10.7 t70 -52.67 -21.97 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 71.019999999999996 109.254 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 3.8 t70 -91.73 -28.63 17.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 75.25 109.271 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.514 ' O ' ' CG ' ' A' ' 127' ' ' GLU . 15.6 tpp -66.9 -41.47 87.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 70.400000000000006 111.001 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 127' ' ' GLU . 10.7 mt -60.31 -55.25 35.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 65.510000000000005 109.317 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 19.1 mtt-85 -37.75 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 74.420000000000002 110.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 124' ' ' MET . 94.6 mt-10 -44.87 -49.25 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.439999999999998 110.315 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' A' ' 142' ' ' ALA . 33.5 m -132.03 10.34 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 109.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 132' ' ' SER . 1.5 p -97.74 3.25 50.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 63.240000000000002 110.034 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.9 t70 40.67 32.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 73.400000000000006 109.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.77 46.62 60.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 72.549999999999997 111.011 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 129' ' ' SER . 1.1 m -97.06 -72.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 62.539999999999999 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 147.31 -14.52 1.45 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 70.030000000000001 110.968 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 27.0 mt-10 -146.28 163.36 35.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 72.200000000000003 110.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.419 ' HB ' ' N ' ' A' ' 140' ' ' PHE . 5.2 pt -131.31 131.1 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 74.420000000000002 109.298 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.416 ' OD1' ' CD2' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -97.06 -176.39 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 75.439999999999998 109.263 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.3 tp -53.44 -20.2 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 74.310000000000002 109.262 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -86.61 -55.33 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 110.323 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 142' ' ' ALA . 29.4 mt-30 -65.35 -57.85 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 73.230000000000004 110.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.673 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 17.9 t80 -44.77 -46.47 10.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 74.010000000000005 111.028 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.491 ' CB ' ' HG ' ' A' ' 85' ' ' LEU . . . -62.19 -31.89 72.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 72.099999999999994 109.252 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.482 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . . . -58.75 -19.67 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 64.439999999999998 109.298 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.472 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 85.7 mt -72.55 -66.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 63.039999999999999 109.291 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 85' ' ' LEU . 10.0 mt -49.58 -22.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.420000000000002 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 143' ' ' LEU . 72.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 64.439999999999998 109.991 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.256 -0.276 . . . . 73.439999999999998 110.256 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 456' ' ' LYS . 0.0 OUTLIER -60.27 -19.42 54.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 75.430000000000007 109.263 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -92.5 -17.65 24.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 62.210000000000001 109.283 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -52.14 65.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 71.310000000000002 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.472 ' NH1' ' O ' ' A' ' 143' ' ' LEU . 3.6 ptp180 -73.51 -25.71 60.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 75.230000000000004 110.293 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -58.07 -31.26 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 74.230000000000004 109.311 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.483 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 4.8 ttmt -59.98 -25.35 65.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 75.340000000000003 109.253 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.573 HD11 ' CZ ' ' A' ' 92' ' ' PHE . 39.2 mt -88.05 -34.25 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 75.209999999999994 109.301 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.3 mp -48.73 -45.09 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 73.299999999999997 109.31 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.496 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -72.05 -53.36 13.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 65.329999999999998 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.452 HG21 ' CD1' ' A' ' 39' ' ' LEU . 24.9 mt -48.21 -24.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 73.319999999999993 109.338 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -84.25 -71.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 470' ' ' ARG . 5.7 mttp -44.05 -65.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 72.209999999999994 109.34 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 464' ' ' ALA . 7.9 m -38.43 -31.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.319999999999993 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -74.31 -53.6 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 74.329999999999998 110.017 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 467' ' ' LYS . 1.0 OUTLIER -55.42 -42.17 73.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.129999999999995 110.273 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.465 ' CE ' HD21 ' A' ' 51' ' ' LEU . 27.8 mtp -42.97 -49.1 6.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 70.329999999999998 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 7.0 t80 -50.54 -36.95 36.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 73.530000000000001 111.059 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -75.44 -26.54 58.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.319999999999993 110.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 475' ' ' LEU . 47.3 t -74.68 -51.61 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 73.439999999999998 109.315 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.02 -38.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 73.409999999999997 109.272 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 72.409999999999997 110.286 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.441 -0.207 . . . . 73.310000000000002 110.441 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -52.23 -35.29 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.519999999999996 110.338 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -70.9 -25.6 62.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 75.510000000000005 110.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -78.34 -36.96 45.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.120000000000005 110.253 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.657 ' CG2' ' CZ ' ' A' ' 65' ' ' PHE . 1.6 mm -63.38 -21.27 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 74.349999999999994 109.302 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.68 -17.55 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 75.329999999999998 109.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' HG3' ' NZ ' ' A' ' 456' ' ' LYS . 23.8 mm-40 -80.03 -66.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 72.219999999999999 110.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.423 ' CB ' ' HB2' ' A' ' 69' ' ' LEU . 77.6 m-85 -42.68 -26.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 75.420000000000002 110.99 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 12.1 mttt -51.55 -47.56 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.400000000000006 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.458 ' HB3' ' CE ' ' A' ' 461' ' ' LYS . 6.6 mm-40 -55.14 -46.4 75.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 74.120000000000005 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -66.24 -15.33 63.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 71.140000000000001 109.26 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CE1' HD12 ' A' ' 27' ' ' ILE . 1.4 t80 -85.22 -36.85 20.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 75.420000000000002 110.969 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -14.27 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 63.43 109.326 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 38.7 mt -56.74 -40.07 75.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 73.340000000000003 109.278 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CE2' ' HB ' ' A' ' 35' ' ' VAL . 2.4 m-85 -108.83 -45.8 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 74.200000000000003 111.031 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.0 92.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 73.150000000000006 109.247 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' PHE . 4.8 mmtp -69.73 -67.43 0.49 Allowed 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 123.633 1.682 . . . . 74.239999999999995 109.309 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.7 p30 -74.12 -20.4 60.26 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.876 -1.059 . . . . 74.010000000000005 109.967 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 m120 69.56 60.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 75.25 109.278 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 23.7 p30 -98.21 -23.13 15.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 64.25 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 105.42 40.87 1.99 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 61.25 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.95 115.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 74.200000000000003 109.983 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.577 HD12 ' CE1' ' A' ' 16' ' ' PHE . 95.9 mt -102.29 93.39 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 75.140000000000001 109.358 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.452 ' OG ' ' NE2' ' A' ' 61' ' ' HIS . 33.5 t -67.71 -170.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 71.230000000000004 109.999 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.446 ' N ' ' OG ' ' A' ' 28' ' ' SER . 30.5 t -74.7 -23.6 58.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 73.239999999999995 110.019 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.55 -27.28 58.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 73.540000000000006 109.957 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -90.86 -37.32 13.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 75.340000000000003 110.263 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 1.3 tt -68.03 -56.94 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 72.519999999999996 109.307 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.05 -12.71 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 71.409999999999997 109.27 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.65 -35.73 62.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 73.109999999999999 110.381 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.559 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.3 t -78.94 -63.84 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.319999999999993 109.292 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.513 ' HE2' ' CG ' ' A' ' 472' ' ' PHE . 88.7 mtp -38.08 -51.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 74.400000000000006 110.979 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -62.12 -40.85 97.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 72.230000000000004 110.316 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' VAL . 21.1 p -58.57 -16.37 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 72.540000000000006 110.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 HD11 ' CG2' ' A' ' 465' ' ' ILE . 19.2 mt -93.6 -20.33 20.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 73.200000000000003 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.33 1.15 8.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 73.230000000000004 111.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.8 mt -77.98 177.73 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 64.530000000000001 109.302 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -158.64 59.59 1.54 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 72.409999999999997 109.965 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.05 137.93 22.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.821 . . . . 72.519999999999996 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -76.48 140.07 41.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 75.409999999999997 110.027 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -55.0 -26.6 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 75.120000000000005 110.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.88 74.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 109.289 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' C ' ' N ' ' A' ' 49' ' ' ASN . 2.6 mm-40 -74.37 -51.65 14.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 73.109999999999999 110.287 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 43' ' ' PRO . 45.6 t -39.62 -30.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 73.530000000000001 109.245 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.54 ' OD1' ' CE1' ' A' ' 61' ' ' HIS . 72.4 m-20 -74.76 -66.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.88 -23.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 70.099999999999994 109.311 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -75.52 -68.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 73.140000000000001 109.272 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.418 ' HE2' ' N ' ' A' ' 29' ' ' SER . 7.5 ptm -61.4 -12.56 14.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 75.120000000000005 110.999 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 1.1 m-80 -78.14 -7.91 57.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 65.099999999999994 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -99.32 -11.34 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 74.25 110.292 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' ASP . 1.2 mm -108.57 -53.44 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 74.200000000000003 109.335 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 6.5 t0 -37.9 122.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 72.030000000000001 109.283 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.3 t -81.67 -34.26 12.78 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-O 123.674 1.702 . . . . 74.150000000000006 109.335 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 51.9 p30 -97.84 -6.74 31.88 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 117.909 -1.043 . . . . 74.209999999999994 109.993 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.48 41.93 93.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 72.200000000000003 111.005 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 34.3 p-10 -92.59 13.48 19.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 73.030000000000001 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.637 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 43.7 t60 65.85 29.78 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 75.340000000000003 109.581 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 47.4 mt-30 -152.24 158.73 43.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 75.430000000000007 110.349 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.21 124.0 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 74.109999999999999 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.47 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 7.2 mt-10 -90.0 -178.75 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 64.319999999999993 110.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.657 ' CZ ' ' CG2' ' A' ' 9' ' ' ILE . 9.0 t80 -79.21 -10.97 59.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 72.109999999999999 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.503 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 16.7 p -97.14 -27.73 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 63.140000000000001 110.007 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -86.55 -53.78 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.219999999999999 110.324 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.441 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 83.9 t80 -55.34 -43.59 75.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 72.129999999999995 110.97 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.71 -24.58 63.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 71.5 109.356 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.576 ' N ' ' CD1' ' A' ' 69' ' ' LEU . . . -86.44 -15.45 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 72.209999999999994 109.331 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.5 tp -74.36 -53.85 8.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 75.430000000000007 109.294 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.486 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -47.9 -45.0 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 75.010000000000005 110.991 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 p -72.89 -22.57 60.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 75.310000000000002 110.023 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 73.420000000000002 110.269 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.554 ' CD1' ' CB ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.3 -0.63 . . . . 72.510000000000005 109.3 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 pp -53.89 -35.38 61.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.120000000000005 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.509 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 5.0 mm-40 -67.09 -58.74 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 74.450000000000003 110.334 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.474 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -64.87 -17.66 64.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 74.120000000000005 109.291 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 30.2 t80 -77.11 -57.68 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 75.209999999999994 110.986 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -18.96 61.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 75.549999999999997 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 5.0 t -73.93 -49.37 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 74.519999999999996 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.673 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 3.5 m-85 -67.76 -38.63 83.71 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.656 1.693 . . . . 75.420000000000002 110.965 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.4 OUTLIER -72.67 101.53 3.08 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.872 -1.061 . . . . 75.430000000000007 109.941 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -35.8 23.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 74.319999999999993 109.286 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.6 OUTLIER -74.63 -46.69 36.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 71.140000000000001 109.266 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.92 77.22 1.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 111.016 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -133.03 5.61 3.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 63.43 109.273 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 81.41 14.06 79.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 110.977 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 0.5 OUTLIER -151.0 116.12 5.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 75.400000000000006 109.311 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.448 HD11 ' CB ' ' A' ' 92' ' ' PHE . 66.5 mt -76.18 99.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 73.230000000000004 109.332 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.1 t -64.12 174.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 72.319999999999993 110.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.472 ' HA ' ' CD1' ' A' ' 125' ' ' LEU . . . -47.46 -70.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.329999999999998 109.265 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.21 -67.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 65.310000000000002 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 31.7 mt-10 -37.93 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 74.540000000000006 110.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -89.14 -72.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 74.409999999999997 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -47.76 -59.22 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.420000000000002 109.309 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.561 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -41.26 -40.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 72.319999999999993 109.597 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.673 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.7 t -71.26 -42.81 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 62.210000000000001 109.312 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.499 ' O ' ' CG1' ' A' ' 112' ' ' ILE . 1.6 mm? -59.78 -34.48 73.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 71.239999999999995 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.7 m -84.85 -14.98 46.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 64.519999999999996 110.4 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.27 -0.06 39.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.439999999999998 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.53 ' CD1' ' CG ' ' A' ' 461' ' ' LYS . 12.5 pt -111.94 -33.56 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 70.319999999999993 109.325 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.58 -39.82 1.01 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 73.239999999999995 111.029 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.474 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -53.83 171.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 72.340000000000003 110.322 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 2.7 mtmp? -148.85 114.31 5.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 73.340000000000003 109.274 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 12.9 mt -123.03 133.23 54.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 74.439999999999998 109.293 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 120' ' ' GLU . 26.9 p -65.11 145.34 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 75.019999999999996 110.395 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -45.46 -27.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 72.109999999999999 109.33 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 117' ' ' THR . . . -81.3 -42.85 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 62.350000000000001 109.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 117' ' ' THR . 5.9 mm-40 -57.38 -43.81 83.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 63.539999999999999 110.308 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 10.1 p -72.27 -54.36 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 75.019999999999996 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.444 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 30.8 t70 -47.18 -24.71 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 72.409999999999997 109.271 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.414 ' N ' ' C ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -91.48 -36.13 13.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.540000000000006 109.3 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.465 ' CE ' HD11 ' A' ' 458' ' ' LEU . 25.6 ttm -58.38 -34.45 70.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 64.030000000000001 111.017 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 102' ' ' ALA . 3.5 mt -70.31 -59.21 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 62.329999999999998 109.276 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -39.51 -29.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 71.219999999999999 110.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 125' ' ' LEU . 4.0 mm-40 -42.85 -46.31 5.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 72.120000000000005 110.276 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 142' ' ' ALA . 25.7 m -123.82 -0.69 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 74.340000000000003 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.499 ' HA ' ' NE2' ' A' ' 139' ' ' GLN . 0.0 OUTLIER -83.22 -8.42 59.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 110.015 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.2 t70 60.31 28.5 18.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 74.329999999999998 109.271 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 91.28 -8.44 79.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.563 1.165 . . . . 74.420000000000002 111.014 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.447 ' N ' ' OG ' ' A' ' 129' ' ' SER . 28.1 t -52.34 -87.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.761 . . . . 73.040000000000006 110.013 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.448 ' N ' ' OG ' ' A' ' 129' ' ' SER . . . 156.46 -22.19 0.49 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 63.030000000000001 111.023 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.414 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 12.5 mt-10 -124.11 172.47 8.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 72.439999999999998 110.327 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 143' ' ' LEU . 7.0 pt -139.1 125.23 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.040000000000006 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -90.6 -176.98 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 64.200000000000003 109.253 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 89' ' ' PHE . 2.7 tp -54.9 -18.36 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 75.430000000000007 109.268 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -90.08 -56.44 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 72.450000000000003 110.253 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.499 ' NE2' ' HA ' ' A' ' 129' ' ' SER . 25.6 mt-30 -62.67 -54.88 32.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.150000000000006 110.353 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.433 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 23.3 t80 -44.21 -47.34 9.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 75.319999999999993 110.984 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.554 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . . . -62.54 -31.46 72.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.239999999999995 109.283 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 139' ' ' GLN . . . -51.2 -33.52 27.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 73.219999999999999 109.279 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 135' ' ' ILE . 1.9 mt -63.43 -59.09 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.439999999999998 109.302 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 144' ' ' LEU . 1.0 OUTLIER -58.05 -17.26 16.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 75.530000000000001 109.325 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 73.420000000000002 109.994 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 458' ' ' LEU . 65.2 mmt-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.289 -0.263 . . . . 74.450000000000003 110.289 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.409 ' NZ ' ' HG3' ' A' ' 11' ' ' GLU . 13.6 ptmt -54.39 -22.29 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 75.150000000000006 109.296 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -90.93 -23.88 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 70.530000000000001 109.297 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . 0.465 HD11 ' CE ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -73.19 -55.28 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 74.439999999999998 109.346 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.406 ' O ' ' CD1' ' A' ' 463' ' ' LEU . 3.0 ptp180 -62.24 -33.23 74.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 110.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -57.36 -37.18 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 74.420000000000002 109.343 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.53 ' CG ' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -54.69 -29.3 52.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 74.430000000000007 109.247 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.566 HG23 ' CZ ' ' A' ' 92' ' ' PHE . 14.7 mt -89.52 -31.11 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 75.329999999999998 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.423 ' HG ' ' NZ ' ' A' ' 467' ' ' LYS . 9.7 mp -50.27 -60.97 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.129999999999995 109.322 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.486 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -50.32 -55.67 14.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 72.010000000000005 109.341 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.471 ' CG2' HD11 ' A' ' 39' ' ' LEU . 28.7 mt -49.58 -23.0 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.299999999999997 109.333 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -86.7 -62.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 75.420000000000002 109.33 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.423 ' NZ ' ' HG ' ' A' ' 463' ' ' LEU . 0.2 OUTLIER -57.51 -67.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 74.439999999999998 109.321 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.517 HG12 ' CZ ' ' A' ' 19' ' ' PHE . 82.9 t -38.96 -34.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 74.340000000000003 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -60.5 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.230000000000004 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -26.72 38.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.450000000000003 110.303 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.425 ' HA ' ' CG1' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -58.06 -25.2 60.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 71.299999999999997 111.029 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 38.1 t80 -88.84 -21.35 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 74.150000000000006 111.01 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 31.2 m -95.48 -1.94 49.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.329999999999998 109.978 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.425 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 12.0 p -107.65 -46.58 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 75.140000000000001 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.09 -35.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 73.430000000000007 109.359 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 70.030000000000001 110.345 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.449 -0.204 . . . . 71.409999999999997 110.449 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.05 -25.52 21.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 64.540000000000006 110.256 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -78.3 -27.18 47.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 74.219999999999999 110.321 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -77.27 -35.53 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 64.430000000000007 110.271 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.643 ' CG2' ' CZ ' ' A' ' 65' ' ' PHE . 1.9 mm -63.42 -20.72 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 75.329999999999998 109.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.91 -12.74 60.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 61.43 109.289 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 22.1 mt-10 -85.08 -68.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 74.239999999999995 110.28 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -41.54 -27.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 75.099999999999994 110.974 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 3.8 mtmt -48.58 -47.93 39.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 73.219999999999999 109.297 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -55.55 -34.7 64.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 74.450000000000003 110.273 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -74.56 -19.01 60.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 74.140000000000001 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.6 t80 -81.44 -41.64 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 74.420000000000002 110.965 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -24.51 62.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 72.329999999999998 109.272 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 63.5 mt -45.95 -42.67 13.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 72.510000000000005 109.279 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CE2' ' HB ' ' A' ' 35' ' ' VAL . 2.1 m-85 -109.19 -47.14 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 73.019999999999996 111.017 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -54.79 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 73.230000000000004 109.301 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 19' ' ' PHE . 8.0 mmtp -65.65 -67.21 0.46 Allowed 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 123.63 1.681 . . . . 74.340000000000003 109.313 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -75.14 -10.89 59.89 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.904 -1.046 . . . . 73.409999999999997 109.968 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 56.75 56.9 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 72.439999999999998 109.306 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 10.7 p30 -89.83 -21.24 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 74.120000000000005 109.284 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 106.96 34.3 3.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 52.32 111.024 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.73 112.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 74.400000000000006 109.99 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 16' ' ' PHE . 96.2 mt -92.01 101.77 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.209999999999994 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.434 ' C ' ' CE ' ' A' ' 52' ' ' MET . 2.3 p -67.05 177.65 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 71.230000000000004 110.028 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.453 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 13.0 t -68.12 -35.36 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 71.129999999999995 110.015 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' ' OG1' ' A' ' 34' ' ' THR . 0.3 OUTLIER -72.53 -22.25 61.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 71.439999999999998 109.995 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -90.6 -35.29 15.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 61.119999999999997 110.303 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 1.7 tt -72.55 -49.13 34.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 71.439999999999998 109.349 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.72 -12.49 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.049999999999997 109.306 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 30' ' ' SER . 0.8 OUTLIER -69.74 -25.11 63.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 72.439999999999998 110.381 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.549 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -91.48 -60.59 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 72.230000000000004 109.25 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.442 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 91.8 mtp -38.22 -54.26 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 73.409999999999997 111.02 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 38' ' ' SER . 9.7 ptm180 -58.19 -40.58 81.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.239999999999995 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' VAL . 6.5 p -59.11 -27.63 65.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 75.129999999999995 109.969 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 465' ' ' ILE . 9.8 mt -79.42 -17.82 53.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 71.049999999999997 109.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.32 11.57 8.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 42.240000000000002 111.016 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.4 -176.96 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 64.310000000000002 109.291 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.453 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 44.4 t -164.32 61.5 0.9 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 74.099999999999994 109.985 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 146.79 33.23 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.78 . . . . 73.219999999999999 111.015 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 m -87.6 140.42 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 64.120000000000005 109.978 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 51.5 tt0 -48.45 -27.93 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 73.140000000000001 110.293 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.14 -49.23 76.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 72.239999999999995 109.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.5 mt-10 -75.85 -51.21 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 71.319999999999993 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.453 ' CG1' ' OG ' ' A' ' 29' ' ' SER . 55.6 t -40.81 -37.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 73.239999999999995 109.257 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 93.0 m-20 -63.94 -63.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 73.400000000000006 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -14.26 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 73.420000000000002 109.264 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.522 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.5 tm? -78.66 -53.79 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 72.340000000000003 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.434 ' CE ' ' C ' ' A' ' 28' ' ' SER . 7.0 ptm -80.29 -14.39 58.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 72.349999999999994 110.974 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -86.6 -8.06 57.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 72.430000000000007 109.31 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -84.75 -12.95 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 72.319999999999993 110.27 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.449 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.4 mm -117.57 -39.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 74.329999999999998 109.343 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.4 t0 -37.85 121.32 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 72.310000000000002 109.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -81.8 -24.72 9.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 CA-C-O 123.625 1.679 . . . . 75.120000000000005 109.298 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.6 p30 -109.06 -6.38 15.66 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.902 -1.047 . . . . 74.239999999999995 109.99 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 55.9 42.52 86.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 71.450000000000003 111.041 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.1 p-10 -92.81 13.65 19.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 74.450000000000003 109.267 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.652 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 39.5 t60 65.8 31.67 9.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 72.439999999999998 109.61 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.452 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 48.1 mt-30 -154.64 158.54 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 74.25 110.247 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -110.68 125.16 67.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 73.120000000000005 109.297 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -90.53 -175.9 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 62.149999999999999 110.325 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.643 ' CZ ' ' CG2' ' A' ' 9' ' ' ILE . 7.1 t80 -82.52 -10.66 58.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 75.030000000000001 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 3.2 m -96.65 -29.36 13.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 63.32 109.991 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -86.0 -53.19 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 74.140000000000001 110.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.443 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 87.7 t80 -55.59 -44.6 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 74.25 111.025 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.08 -24.03 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.420000000000002 109.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.572 ' N ' ' CD1' ' A' ' 69' ' ' LEU . . . -84.55 -15.38 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 74.25 109.293 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.499 ' CD2' ' SD ' ' A' ' 471' ' ' MET . 48.6 tp -72.97 -50.41 23.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 74.439999999999998 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -61.25 -12.92 15.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 71.230000000000004 110.963 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 p -115.23 1.2 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.519999999999996 110.039 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.150000000000006 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 141' ' ' ALA . 8.3 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.294 -0.632 . . . . 72.530000000000001 109.294 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.01 -36.86 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 74.219999999999999 109.33 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.51 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 5.1 mm-40 -65.62 -58.09 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 74.310000000000002 110.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' ' 466' ' ' ALA . . . -65.58 -18.54 65.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 75.310000000000002 109.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 85' ' ' LEU . 11.7 t80 -76.06 -63.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 74.549999999999997 111.019 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -63.43 -34.84 78.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 75.310000000000002 109.316 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 12.3 t -57.98 -53.77 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 74.400000000000006 109.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.647 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.1 m-85 -64.69 -39.72 94.15 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 123.597 1.665 . . . . 75.049999999999997 110.97 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.09 98.03 2.03 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.925 -1.036 . . . . 72.349999999999994 109.995 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.481 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 3.5 mmtt -84.06 -32.88 24.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.310000000000002 109.288 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.442 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -76.31 -43.6 40.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 73.099999999999994 109.323 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.42 79.71 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 72.010000000000005 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -141.19 12.31 2.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 72.420000000000002 109.267 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.509 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 68.65 19.5 73.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 72.299999999999997 111.009 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.6 mt -150.01 111.02 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 73.409999999999997 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.6 mt -78.31 105.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 70.230000000000004 109.326 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.8 t -73.94 176.3 6.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 74.420000000000002 109.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 106' ' ' LYS . . . -45.44 -71.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 65.209999999999994 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.493 ' HA ' ' CG ' ' A' ' 106' ' ' LYS . . . -40.61 -66.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 70.420000000000002 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 103' ' ' ALA . 40.5 mt-10 -38.41 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 73.129999999999995 110.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.509 ' CD1' ' CD1' ' A' ' 135' ' ' ILE . 0.3 OUTLIER -94.34 -73.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 72.549999999999997 109.311 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.493 ' CG ' ' HA ' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -45.78 -56.32 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 74.239999999999995 109.312 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.533 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.9 -38.86 11.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 74.140000000000001 109.601 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.647 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.7 t -70.65 -55.22 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 73.25 109.241 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.414 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 2.7 mt -51.58 -29.94 19.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 74.140000000000001 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.3 m -80.69 -25.98 37.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 71.5 110.385 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -67.19 -11.19 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 74.329999999999998 110.024 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.469 HG21 ' CD1' ' A' ' 465' ' ' ILE . 12.6 pt -112.23 -32.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 74.040000000000006 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.31 -36.94 0.86 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 63.439999999999998 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 109' ' ' LEU . 36.6 mm-40 -56.11 114.45 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 0.744 . . . . 72.519999999999996 110.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -105.05 103.37 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 72.319999999999993 109.326 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -110.58 121.9 46.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 73.099999999999994 109.282 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.428 ' N ' ' HB2' ' A' ' 120' ' ' GLU . 25.8 p -63.72 160.36 17.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 73.209999999999994 110.42 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -24.73 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 75.230000000000004 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.59 -19.92 24.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 70.510000000000005 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 5.2 mm-40 -81.03 -57.73 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 73.400000000000006 110.335 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -61.28 -50.41 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 73.409999999999997 109.328 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.516 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 4.5 t0 -51.5 -23.75 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 74.120000000000005 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.73 -37.04 13.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 74.099999999999994 109.283 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.425 ' O ' ' CG ' ' A' ' 127' ' ' GLU . 0.5 OUTLIER -63.96 -34.46 78.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 75.209999999999994 110.976 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 129' ' ' SER . 4.2 mt -62.1 -53.59 53.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 74.400000000000006 109.274 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 125' ' ' LEU . 45.2 mtt180 -36.96 -31.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 71.200000000000003 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 7.7 mm-40 -46.53 -50.66 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 75.230000000000004 110.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 142' ' ' ALA . 20.9 m -131.85 14.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 73.519999999999996 109.268 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.2 p -101.07 10.87 40.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 62.210000000000001 109.994 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' SER . 66.0 t0 38.29 47.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.030000000000001 109.326 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 52.28 47.45 55.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 73.299999999999997 111.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' SER . 43.0 t -107.27 -77.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 74.400000000000006 109.967 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 152.33 -19.29 0.82 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.149 . . . . 71.329999999999998 111.006 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 22.4 mt-10 -127.46 174.34 9.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 71.340000000000003 110.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.509 ' CD1' ' CD1' ' A' ' 105' ' ' LEU . 6.3 pt -146.97 127.69 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 75.450000000000003 109.342 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -96.95 170.54 9.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.239999999999995 109.256 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 85' ' ' LEU . 6.7 tp -39.36 -30.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 71.049999999999997 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 136' ' ' ASN . 3.3 mm-40 -75.68 -59.58 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 75.099999999999994 110.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 18.4 mt-30 -66.76 -57.18 7.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.409999999999997 110.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.467 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 64.2 t80 -41.54 -50.96 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 75.400000000000006 111.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 145' ' ' SER . . . -63.1 -34.42 77.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 53.240000000000002 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 139' ' ' GLN . . . -44.95 -27.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 72.530000000000001 109.359 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.475 ' CD1' ' CG2' ' A' ' 128' ' ' VAL . 1.1 mt -82.92 -42.63 17.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 75.129999999999995 109.304 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 141' ' ' ALA . 0.3 OUTLIER -87.36 11.98 13.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 75.099999999999994 109.284 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 141' ' ' ALA . 45.9 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 62.43 109.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.294 -0.261 . . . . 73.209999999999994 110.294 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.85 -27.97 67.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 74.030000000000001 109.332 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -85.33 -16.15 40.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 60.130000000000003 109.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -50.66 55.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 74.510000000000005 109.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 460' ' ' ASN . 1.7 ptp180 -60.45 -41.57 94.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 74.510000000000005 110.315 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.473 ' N ' ' CG ' ' A' ' 459' ' ' ARG . 6.9 t30 -56.91 -38.88 73.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 75.200000000000003 109.334 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.467 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 0.4 OUTLIER -60.33 -25.67 65.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.439999999999998 109.308 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.578 HG21 ' CE1' ' A' ' 92' ' ' PHE . 23.7 mt -88.59 -33.49 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 61.119999999999997 109.262 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 96.3 mt -49.96 -62.08 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 63.310000000000002 109.263 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.479 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -48.96 -58.31 5.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 73.299999999999997 109.334 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.469 ' CD1' HG21 ' A' ' 112' ' ' ILE . 19.5 mt -40.42 -32.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 74.209999999999994 109.255 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.473 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . . . -87.67 -72.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 74.209999999999994 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.459 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 8.3 mtpp -40.87 -67.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 75.430000000000007 109.29 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.541 HG12 ' CZ ' ' A' ' 19' ' ' PHE . 90.7 t -38.7 -35.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 73.230000000000004 109.291 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 466' ' ' ALA . 3.0 t -73.83 -51.51 16.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 73.219999999999999 110.029 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -52.86 -41.59 64.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 75.450000000000003 110.297 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.499 ' SD ' ' CD2' ' A' ' 71' ' ' LEU . 10.4 mtm -51.44 -24.29 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 73.349999999999994 110.975 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 28.7 t80 -88.9 -25.06 22.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 75.310000000000002 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.93 -6.31 51.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 64.400000000000006 110.044 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 8.9 p -102.99 -48.96 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 74.209999999999994 109.282 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 474' ' ' VAL . 0.1 OUTLIER -39.59 -36.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 75.340000000000003 109.307 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 75.140000000000001 110.271 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 8' ' ' GLN . 4.6 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.432 -0.21 . . . . 74.310000000000002 110.432 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -56.63 -20.8 23.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 70.120000000000005 110.329 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -77.04 -26.08 53.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 73.340000000000003 110.277 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 5' ' ' THR . 2.3 mt-30 -84.08 -38.06 21.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 74.049999999999997 110.274 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.572 ' CG2' ' CZ ' ' A' ' 65' ' ' PHE . 2.0 mm -59.64 -31.74 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 73.349999999999994 109.282 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.08 -16.53 63.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 74.409999999999997 109.278 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 65.2 mt-10 -74.94 -71.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 55.399999999999999 110.269 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.503 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 47.9 m-85 -43.95 -26.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 64.409999999999997 111.012 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 19.5 mttt -49.07 -46.19 44.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 73.439999999999998 109.284 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -60.84 -49.78 76.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 72.299999999999997 110.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -59.63 -18.29 40.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 64.209999999999994 109.294 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CE1' HD11 ' A' ' 27' ' ' ILE . 1.7 t80 -81.97 -41.6 20.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 74.409999999999997 111.014 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -21.23 59.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 72.099999999999994 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 64.8 mt -49.95 -41.18 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 72.109999999999999 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.512 ' CE1' ' HB ' ' A' ' 35' ' ' VAL . 3.3 m-85 -110.36 -49.98 3.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.340000000000003 110.932 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -54.54 90.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 73.019999999999996 109.298 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' PHE . 58.6 mmtt -69.45 -66.92 0.52 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 123.595 1.664 . . . . 64.329999999999998 109.283 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.2 p30 -74.76 -17.01 60.7 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.884 -1.055 . . . . 63.100000000000001 110.016 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m120 63.06 65.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.150000000000006 109.288 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 35.1 p30 -99.44 -7.92 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 74.5 109.271 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.8 33.03 8.09 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 50.32 110.97 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.72 110.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 63.109999999999999 109.998 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 16' ' ' PHE . 94.5 mt -91.21 102.37 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 71.239999999999995 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.22 159.01 35.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 73.299999999999997 110.029 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.5 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 6.4 t -54.81 -18.87 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 73.540000000000006 110.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -29.81 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 73.049999999999997 110.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -90.13 -28.01 19.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 73.140000000000001 110.273 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -74.24 -51.91 13.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 74.010000000000005 109.306 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.417 ' N ' HD22 ' A' ' 32' ' ' LEU . . . -67.68 -12.36 60.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 75.299999999999997 109.294 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -30.46 68.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 63.32 110.419 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.512 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.1 t -83.63 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 75.340000000000003 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 41' ' ' LEU . 49.6 mmm -38.22 -53.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 72.430000000000007 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 38' ' ' SER . 8.9 ptm180 -59.18 -43.56 92.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 75.530000000000001 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.434 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.8 m -55.7 -35.03 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 72.150000000000006 110.003 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' O ' ' NZ ' ' A' ' 94' ' ' LYS . 21.1 mt -72.0 -22.59 61.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 75.519999999999996 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.85 2.88 8.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 63.310000000000002 110.95 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 24.8 mt -79.09 -172.13 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 71.040000000000006 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.455 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 93.1 p -164.26 61.82 0.94 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 53.409999999999997 109.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.1 Cg_endo -75.05 152.92 41.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 74.150000000000006 110.957 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -102.96 140.42 37.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 61.0 109.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 22.1 tt0 -48.22 -28.21 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 75.450000000000003 110.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.59 -50.21 74.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 54.25 109.308 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.466 ' HB3' ' CD2' ' A' ' 475' ' ' LEU . 1.5 mt-10 -77.36 -51.83 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 110.286 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.5 ' CG1' ' OG ' ' A' ' 29' ' ' SER . 53.1 t -40.47 -31.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 74.400000000000006 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 79.7 m-20 -65.64 -65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 72.519999999999996 109.288 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.0 -17.84 11.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 109.253 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -76.56 -56.19 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.019999999999996 109.309 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 61' ' ' HIS . 0.9 OUTLIER -74.78 -16.68 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.109999999999999 111.025 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -84.86 -7.96 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 74.319999999999993 109.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.23 -13.94 51.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 75.209999999999994 110.293 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' ASP . 2.1 mm -117.78 -39.68 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 72.200000000000003 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 4.8 t0 -37.57 119.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 73.430000000000007 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.473 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 72.0 t -94.12 -7.74 10.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-O 123.599 1.666 . . . . 72.230000000000004 109.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 49.5 p-10 -121.97 -10.79 8.59 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 117.935 -1.031 . . . . 75.109999999999999 110.002 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 62.73 36.63 93.57 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 71.120000000000005 111.001 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 32.3 p-10 -92.8 27.34 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 73.340000000000003 109.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.627 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 54.7 t60 45.58 40.87 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 72.420000000000002 109.616 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 40.4 mt-30 -160.54 164.37 32.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 64.519999999999996 110.291 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.86 125.03 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 65.450000000000003 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.478 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -88.9 172.57 9.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 110.295 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.0 t80 -72.6 -12.34 61.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 74.209999999999994 110.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 m -93.68 -46.39 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 75.239999999999995 109.986 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 14.5 mt-10 -65.81 -51.42 59.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 73.319999999999993 110.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -54.75 -42.72 72.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 72.040000000000006 110.964 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -70.09 -32.3 70.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 65.319999999999993 109.3 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -72.91 -16.74 61.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 74.019999999999996 109.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CD2' ' HE1' ' A' ' 471' ' ' MET . 7.2 tp -73.9 -53.66 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 64.140000000000001 109.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -56.12 -47.48 78.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 74.510000000000005 110.967 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.3 t -71.3 -15.88 62.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 73.530000000000001 110.026 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 4.0 ttt-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 75.140000000000001 110.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.536 ' CD1' ' CB ' ' A' ' 141' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.299 -0.63 . . . . 73.010000000000005 109.299 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.98 -43.36 73.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 72.219999999999999 109.299 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.462 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 23.5 mm-40 -59.17 -38.02 78.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 74.329999999999998 110.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.483 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -90.91 -8.79 48.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 73.049999999999997 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.53 ' CG ' HD13 ' A' ' 137' ' ' ILE . 18.0 t80 -78.37 -59.82 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 71.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -40.41 97.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.319999999999993 109.311 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -54.56 -51.0 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 65.25 109.269 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.636 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 2.0 m-85 -67.44 -44.98 77.39 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 123.613 1.673 . . . . 75.340000000000003 110.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -70.91 98.87 1.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.881 -1.057 . . . . 74.129999999999995 109.972 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 39' ' ' LEU . 5.9 mmtt -84.97 -32.74 22.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 71.439999999999998 109.242 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -76.47 -44.23 36.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 72.200000000000003 109.317 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.59 78.5 1.18 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 72.239999999999995 111.032 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.37 11.59 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 73.340000000000003 109.367 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 70.22 18.41 74.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 53.329999999999998 110.973 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -150.55 110.8 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 74.140000000000001 109.265 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 92' ' ' PHE . 67.4 mt -73.1 99.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 75.409999999999997 109.287 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.9 p -63.75 168.66 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.120000000000005 110.026 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -42.73 -69.78 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 72.129999999999995 109.345 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.45 -66.59 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 75.099999999999994 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 92' ' ' PHE . 40.2 mt-10 -38.91 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 75.409999999999997 110.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 102' ' ' ALA . 40.8 tp -91.2 -73.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 74.439999999999998 109.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -46.01 -65.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 74.319999999999993 109.323 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.58 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -39.93 -46.32 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 64.010000000000005 109.603 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.636 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -60.4 -44.25 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.261 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 106' ' ' LYS . 1.5 mm? -67.37 -26.2 66.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 73.040000000000006 109.28 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.0 m -81.63 -27.54 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 74.319999999999993 110.375 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.444 ' OG ' ' HA ' ' A' ' 108' ' ' VAL . 0.1 OUTLIER -70.47 -6.71 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 75.010000000000005 110.011 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.457 ' CD1' HD21 ' A' ' 18' ' ' LEU . 14.4 pt -113.38 -32.2 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 74.340000000000003 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.5 -34.91 0.82 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 72.519999999999996 111.039 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.484 ' CG ' ' NZ ' ' A' ' 461' ' ' LYS . 3.9 mt-10 -64.82 104.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 63.350000000000001 110.29 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -105.87 104.64 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 73.239999999999995 109.285 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.468 ' CD2' ' HE1' ' A' ' 124' ' ' MET . 4.6 mp -112.39 143.66 43.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.340000000000003 109.287 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' GLU . 30.3 p -71.42 150.79 44.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 62.420000000000002 110.409 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.06 -26.2 6.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 73.549999999999997 109.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.3 -32.95 26.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 75.150000000000006 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 117' ' ' THR . 24.7 mm-40 -67.97 -43.79 78.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 75.329999999999998 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 106' ' ' LYS . 6.4 p -69.08 -50.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 73.510000000000005 109.306 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.454 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 19.7 t0 -48.35 -23.55 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 73.150000000000006 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 121' ' ' VAL . 2.2 t70 -91.08 -34.0 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 63.0 109.311 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 127' ' ' GLU . 22.0 ttm -66.49 -37.42 85.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 74.209999999999994 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 127' ' ' GLU . 8.6 mt -61.45 -56.16 23.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.209999999999994 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.42 ' HA ' ' OG ' ' A' ' 129' ' ' SER . 22.2 mtt-85 -37.61 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 110.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 124' ' ' MET . 25.5 mm-40 -47.36 -50.12 22.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 74.040000000000006 110.346 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 142' ' ' ALA . 32.5 m -131.58 13.02 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 109.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.1 p -99.44 6.67 45.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 65.400000000000006 109.979 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 129' ' ' SER . 47.9 t0 39.79 41.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 74.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 59.32 46.93 93.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.114 . . . . 65.439999999999998 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' SER . 29.6 t -103.72 -75.53 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 71.219999999999999 110.009 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.05 -16.38 1.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 72.129999999999995 111.045 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -139.71 156.54 46.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 75.219999999999999 110.266 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.44 ' HA ' ' NE2' ' A' ' 139' ' ' GLN . 2.2 pt -122.29 121.7 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 73.430000000000007 109.322 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.472 ' HB3' ' CD2' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -81.07 -172.17 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 73.230000000000004 109.296 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.53 HD13 ' CG ' ' A' ' 89' ' ' PHE . 10.8 tp -60.82 -25.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 75.340000000000003 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.421 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 4.7 mm-40 -82.87 -57.47 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 73.420000000000002 110.269 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.469 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 27.1 mt-30 -58.38 -53.84 53.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 73.310000000000002 110.269 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 136' ' ' ASN . 7.8 t80 -46.25 -42.48 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 72.120000000000005 111.048 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.536 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . . . -66.25 -30.61 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 75.510000000000005 109.339 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.484 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . . . -49.6 -33.7 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 75.010000000000005 109.286 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.52 -49.67 57.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 74.140000000000001 109.342 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 144' ' ' LEU . 1.3 mt -61.23 -15.5 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 109.272 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 74.439999999999998 110.002 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.285 -0.265 . . . . 72.430000000000007 110.285 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -22.18 63.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 73.439999999999998 109.348 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -89.49 -16.17 31.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 70.530000000000001 109.338 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.02 -46.33 78.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 71.340000000000003 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -74.99 -31.79 61.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 74.209999999999994 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.475 ' HA ' ' CD1' ' A' ' 463' ' ' LEU . 11.2 t30 -60.37 -41.82 94.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 75.140000000000001 109.301 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.484 ' NZ ' ' CG ' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -52.72 -29.46 27.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 65.409999999999997 109.293 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.454 HG23 ' CE1' ' A' ' 92' ' ' PHE . 9.0 mt -89.46 -30.33 5.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 73.530000000000001 109.261 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 67.8 mt -50.4 -45.99 55.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 74.019999999999996 109.242 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.475 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -69.7 -63.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 71.140000000000001 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.445 ' CG2' HD13 ' A' ' 39' ' ' LEU . 65.4 mt -41.85 -29.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 74.510000000000005 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.483 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -79.77 -58.58 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 65.310000000000002 109.304 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.444 ' CB ' ' HE3' ' A' ' 72' ' ' MET . 1.8 mttp -63.22 -66.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 72.109999999999999 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.486 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 96.7 t -39.2 -30.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 74.340000000000003 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 467' ' ' LYS . 5.5 t -76.51 -64.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 73.140000000000001 110.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.3 OUTLIER -46.08 -50.9 14.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 75.439999999999998 110.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.462 ' HE1' ' CD2' ' A' ' 71' ' ' LEU . 6.6 mtp -38.68 -34.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 110.966 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.47 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 46.7 t80 -78.91 -40.28 32.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 74.310000000000002 110.981 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 470' ' ' ARG . 48.4 t -68.6 -8.48 42.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 62.530000000000001 109.961 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.426 ' C ' ' N ' ' A' ' 476' ' ' ARG . 7.1 p -109.79 -42.25 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 71.450000000000003 109.316 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.54 -29.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 72.010000000000005 109.336 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . 0.426 ' N ' ' C ' ' A' ' 474' ' ' VAL . 3.4 tmt_? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 75.319999999999993 110.301 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.3 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.386 -0.227 . . . . 75.549999999999997 110.386 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.03 -33.14 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 62.329999999999998 110.27 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -70.88 -36.01 72.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 72.530000000000001 110.299 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' THR . 11.3 mm100 -72.22 -28.95 63.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 110.329 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.419 HD13 ' N ' ' A' ' 9' ' ' ILE . 3.2 mm -67.06 -20.48 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 72.450000000000003 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.06 -12.56 57.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 75.319999999999993 109.277 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 45.3 mt-10 -76.05 -68.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 73.230000000000004 110.278 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.499 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 31.0 m-85 -44.02 -25.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 71.430000000000007 110.94 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -55.45 -46.47 76.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 74.409999999999997 109.353 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.455 ' HB3' ' CD ' ' A' ' 461' ' ' LYS . 6.7 mm-40 -63.52 -46.25 86.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 65.219999999999999 110.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -65.88 -15.33 62.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 75.230000000000004 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.0 t80 -80.6 -40.54 25.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 63.509999999999998 111.029 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -21.71 62.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.099999999999994 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 58.4 mt -48.25 -41.46 27.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 74.409999999999997 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CE1' ' HB ' ' A' ' 35' ' ' VAL . 6.5 m-85 -110.38 -40.77 4.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 74.519999999999996 111.023 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -63.47 83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 73.409999999999997 109.314 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -59.45 -67.15 0.41 Allowed 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 123.583 1.658 . . . . 73.120000000000005 109.274 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -77.69 -22.66 50.18 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.917 -1.04 . . . . 72.319999999999993 109.978 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 72.02 64.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 72.400000000000006 109.3 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -100.68 5.02 43.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 71.420000000000002 109.312 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.92 34.26 38.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 64.420000000000002 111.044 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.59 112.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 73.129999999999995 109.976 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' A' ' 16' ' ' PHE . 64.9 mt -93.71 99.78 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 71.400000000000006 109.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -66.49 -179.31 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 75.409999999999997 109.997 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.458 ' CB ' HG11 ' A' ' 48' ' ' VAL . 5.2 t -69.07 -39.92 78.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 72.239999999999995 109.985 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -20.55 66.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 70.400000000000006 110.015 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.504 ' O ' ' CG2' ' A' ' 34' ' ' THR . 41.5 mt-10 -90.59 -45.71 8.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 110.296 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' CD2' HG12 ' A' ' 48' ' ' VAL . 2.3 tt -61.87 -48.21 81.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 63.350000000000001 109.242 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.8 -11.94 60.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 43.210000000000001 109.347 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -70.26 -29.25 65.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 75.239999999999995 110.395 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.564 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.2 t -91.61 -60.62 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 71.319999999999993 109.295 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.2 mtp -41.35 -47.01 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 44.409999999999997 110.975 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' SER . 8.8 ptm180 -63.05 -40.42 97.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 74.540000000000006 110.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.425 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 22.1 m -61.21 -33.42 73.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 74.150000000000006 110.012 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 465' ' ' ILE . 25.3 mt -70.7 -22.57 62.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 74.030000000000001 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.5 4.59 8.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 74.400000000000006 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.3 mt -83.26 -177.53 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 74.019999999999996 109.288 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.474 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 6.3 t -163.53 60.57 0.92 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 74.299999999999997 109.974 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.541 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.2 Cg_endo -75.01 117.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 74.040000000000006 111.031 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 m -58.59 140.02 54.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 109.981 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 27.3 tt0 -46.52 -27.88 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 75.5 110.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.73 76.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 72.400000000000006 109.28 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 49' ' ' ASN . 3.0 mt-10 -75.25 -49.72 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 73.340000000000003 110.309 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.458 HG11 ' CB ' ' A' ' 29' ' ' SER . 55.2 t -40.41 -30.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 73.439999999999998 109.264 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.463 ' OD1' ' CE1' ' A' ' 61' ' ' HIS . 73.5 m-20 -72.9 -66.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 64.209999999999994 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.11 -18.6 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 61.020000000000003 109.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.505 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.6 tm? -79.22 -53.62 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 73.319999999999993 109.321 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 49' ' ' ASN . 15.1 ptm -80.28 -6.26 57.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 61.109999999999999 110.986 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' ASN . 3.9 m-80 -92.38 -7.99 46.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 75.420000000000002 109.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -89.04 -8.25 54.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 62.229999999999997 110.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.412 ' CD1' ' SD ' ' A' ' 471' ' ' MET . 1.8 mm -117.51 -45.75 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 63.420000000000002 109.367 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 3.3 t0 -38.96 120.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 72.549999999999997 109.318 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.76 -15.62 12.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-O 123.6 1.667 . . . . 63.109999999999999 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 48.2 p-10 -118.76 -7.7 10.46 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.88 -1.057 . . . . 62.0 109.975 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.8 41.43 94.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 73.349999999999994 111.022 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.451 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.4 p-10 -89.9 17.65 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 72.519999999999996 109.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.644 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 50.5 t60 59.87 30.91 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 72.530000000000001 109.583 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 47.6 mt-30 -156.09 149.56 24.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.430000000000007 110.268 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -104.28 127.26 58.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 72.099999999999994 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -90.66 171.1 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 74.120000000000005 110.302 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 t80 -70.63 -12.69 61.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 75.219999999999999 110.987 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.5 t -92.36 -47.53 7.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 71.439999999999998 110.017 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.35 -51.36 61.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 73.239999999999995 110.28 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.84 -44.46 73.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 70.409999999999997 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.499 ' HB2' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -68.96 -33.29 73.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 74.310000000000002 109.316 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -71.28 -24.38 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.329999999999998 109.294 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.431 ' CD2' ' SD ' ' A' ' 471' ' ' MET . 27.5 tp -64.74 -50.56 66.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 75.209999999999994 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -58.26 -14.1 6.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 73.209999999999994 111.025 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.3 t -130.76 30.01 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 73.129999999999995 110.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 70.329999999999998 110.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.466 HD12 ' CA ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.29 -0.633 . . . . 74.409999999999997 109.29 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 87' ' ' GLU . 1.9 pp -74.13 -29.34 61.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 73.230000000000004 109.311 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.485 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 90.4 mt-10 -69.61 -34.41 74.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 110.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB1' ' CG2' ' A' ' 462' ' ' ILE . . . -91.09 -10.42 42.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.129999999999995 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CG ' HD13 ' A' ' 137' ' ' ILE . 33.2 t80 -75.21 -60.49 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 75.519999999999996 111.017 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 5.5 ptpt -63.39 -43.04 98.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 73.109999999999999 109.309 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.521 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -51.46 -50.85 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 74.310000000000002 109.334 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 3.3 m-85 -68.32 -44.42 75.42 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 123.65 1.69 . . . . 72.349999999999994 110.997 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -72.01 98.7 2.12 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.862 -1.066 . . . . 74.439999999999998 110.011 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -29.87 20.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.400000000000006 109.326 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -77.13 -49.86 14.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 74.409999999999997 109.256 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 91.15 68.49 1.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.108 . . . . 62.210000000000001 111.004 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -126.35 1.43 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 74.109999999999999 109.244 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.438 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 81.46 13.55 80.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.094 . . . . 72.099999999999994 111.034 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 136' ' ' ASN . 1.5 mt -148.57 114.44 5.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 75.120000000000005 109.283 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.444 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 65.8 mt -74.61 102.72 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 72.5 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.1 p -66.92 175.86 2.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 73.120000000000005 109.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -48.56 -69.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 72.319999999999993 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.507 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -41.49 -66.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 72.120000000000005 109.315 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ALA . 40.2 mt-10 -37.96 -30.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 75.109999999999999 110.257 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.5 tp -88.75 -72.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 74.25 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.507 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -47.25 -63.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 74.420000000000002 109.321 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.574 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -39.5 -42.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 71.430000000000007 109.612 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.2 t -67.11 -47.28 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 73.239999999999995 109.315 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 106' ' ' LYS . 3.0 mm? -57.13 -35.6 69.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 75.420000000000002 109.258 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.8 m -82.09 -13.78 56.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 63.409999999999997 110.355 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -3.72 57.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 74.5 109.976 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.472 HG22 ' CD1' ' A' ' 465' ' ' ILE . 10.8 pt -113.74 -33.3 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 74.349999999999994 109.278 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.74 -36.88 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 70.140000000000001 110.978 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 24.3 mm-40 -50.54 173.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 72.219999999999999 110.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 114' ' ' GLU . 21.3 mtpp -154.99 114.38 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 72.299999999999997 109.28 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 5.8 mt -131.77 130.44 41.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 73.019999999999996 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -67.85 159.4 30.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 71.319999999999993 110.388 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.51 -29.7 64.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 72.310000000000002 109.273 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.07 -20.08 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 74.439999999999998 109.278 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 116' ' ' LEU . 6.0 mt-10 -86.16 -29.56 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 75.530000000000001 110.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 106' ' ' LYS . 9.6 p -83.93 -54.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 71.140000000000001 109.325 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.442 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 14.4 t70 -47.46 -24.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.310000000000002 109.301 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 121' ' ' VAL . 6.2 t0 -91.23 -35.11 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 65.310000000000002 109.323 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 121' ' ' VAL . 21.7 ttm -55.68 -34.71 65.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 110.959 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 127' ' ' GLU . 0.5 OUTLIER -69.76 -55.08 10.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 71.5 109.266 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 125' ' ' LEU . 31.3 mtt180 -35.55 -33.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 75.030000000000001 110.286 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.0 mm-40 -43.61 -50.21 7.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 75.430000000000007 110.335 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.495 ' CB ' ' HB1' ' A' ' 142' ' ' ALA . 23.1 m -132.05 10.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 73.340000000000003 109.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.5 p -97.56 17.06 18.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 75.219999999999999 109.975 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.5 t0 40.77 45.11 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 74.409999999999997 109.266 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 57.48 43.14 94.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 72.5 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 129' ' ' SER . 30.9 t -103.61 -84.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 75.400000000000006 109.998 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.68 -24.28 0.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 73.109999999999999 110.987 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -120.4 156.75 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 74.319999999999993 110.358 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' A' ' 143' ' ' LEU . 4.7 pt -130.05 121.2 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 74.109999999999999 109.279 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.472 ' HB3' ' CD2' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -85.98 177.25 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 75.420000000000002 109.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.524 HD13 ' CG ' ' A' ' 89' ' ' PHE . 8.9 tp -51.07 -22.38 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 73.040000000000006 109.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.421 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 7.1 mm-40 -85.62 -57.11 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 71.540000000000006 110.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 22.4 mt-30 -62.53 -57.3 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 73.540000000000006 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.432 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 21.7 t80 -42.95 -50.61 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 74.099999999999994 110.996 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.466 ' CA ' HD12 ' A' ' 85' ' ' LEU . . . -53.31 -35.94 60.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 75.299999999999997 109.291 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.495 ' HB1' ' CB ' ' A' ' 128' ' ' VAL . . . -50.01 -34.08 20.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 60.520000000000003 109.263 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.453 ' CD1' HD13 ' A' ' 135' ' ' ILE . 1.4 mt -72.93 -43.98 61.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 61.329999999999998 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 459' ' ' ARG . 11.0 mt -86.83 11.77 12.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 72.540000000000006 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 141' ' ' ALA . 22.9 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 72.319999999999993 109.979 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.32 -0.252 . . . . 74.120000000000005 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -23.24 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 74.420000000000002 109.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -88.55 -16.07 33.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 74.319999999999993 109.27 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -51.0 45.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 75.430000000000007 109.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.448 ' HB2' ' CD2' ' A' ' 144' ' ' LEU . 4.1 ptp180 -60.72 -38.18 84.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 74.340000000000003 110.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.461 ' HA ' ' CD2' ' A' ' 463' ' ' LEU . 11.1 t30 -59.5 -45.38 91.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 73.340000000000003 109.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.47 ' HG3' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -44.38 -27.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 75.219999999999999 109.324 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.514 HG21 ' CE1' ' A' ' 92' ' ' PHE . 56.4 mt -89.33 -40.07 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 74.120000000000005 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 460' ' ' ASN . 0.2 OUTLIER -41.08 -34.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 73.120000000000005 109.288 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.489 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -83.52 -47.61 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 74.140000000000001 109.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.472 ' CD1' HG22 ' A' ' 112' ' ' ILE . 58.3 mt -50.62 -22.57 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 75.420000000000002 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -87.27 -72.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 60.210000000000001 109.308 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 469' ' ' SER . 21.2 mttp -45.44 -65.04 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 74.510000000000005 109.25 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.56 HG12 ' CZ ' ' A' ' 19' ' ' PHE . 95.7 t -38.72 -30.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 75.430000000000007 109.279 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.3 t -80.03 -68.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 64.209999999999994 109.979 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.531 ' CD ' ' CG2' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -43.12 -48.05 6.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 73.219999999999999 110.264 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.453 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 1.2 mtm -37.26 -40.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 70.540000000000006 111.001 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 7.3 t80 -56.55 -46.92 80.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 72.150000000000006 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 470' ' ' ARG . 1.0 OUTLIER -69.03 -31.81 70.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 61.219999999999999 110.002 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.531 ' CG2' ' CD ' ' A' ' 470' ' ' ARG . 40.5 t -66.74 -46.06 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 74.099999999999994 109.33 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.27 -36.95 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 73.040000000000006 109.279 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.340000000000003 110.285 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.2 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.379 -0.23 . . . . 64.409999999999997 110.379 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -45.98 -25.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 75.239999999999995 110.329 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 456' ' ' LYS . 6.4 tt0 -72.21 -39.95 68.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 64.150000000000006 110.276 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' THR . 6.1 mm-40 -69.4 -36.83 77.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 110.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.434 ' C ' ' N ' ' A' ' 11' ' ' GLU . 3.6 mm -59.47 -47.76 89.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 63.350000000000001 109.24 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.74 -18.42 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 73.400000000000006 109.265 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 9.9 mm-40 -83.14 -72.32 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 74.120000000000005 110.346 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 15' ' ' ALA . 39.9 m-85 -51.05 -48.78 61.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 74.409999999999997 111.033 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.585 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -41.71 -39.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 71.430000000000007 109.325 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.525 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 69.1 mt-10 -69.45 -43.55 73.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 74.400000000000006 110.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -62.19 -20.13 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 73.530000000000001 109.293 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.597 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.9 t80 -76.18 -35.15 59.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 72.329999999999998 111.01 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.28 -23.65 66.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 72.109999999999999 109.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.473 ' CD2' ' HG3' ' A' ' 461' ' ' LYS . 59.8 mt -45.43 -39.57 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 61.439999999999998 109.293 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.563 ' CE2' ' HB ' ' A' ' 35' ' ' VAL . 16.8 m-85 -107.37 -56.26 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 75.239999999999995 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.597 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -46.78 95.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 72.549999999999997 109.328 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' PHE . 42.4 mmtt -68.36 -67.58 0.46 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 123.682 1.706 . . . . 75.140000000000001 109.281 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 22' ' ' ASP . 2.7 p30 -78.64 -2.52 39.45 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 117.874 -1.06 . . . . 71.319999999999993 109.978 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 48.47 62.59 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 64.340000000000003 109.325 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.8 p30 -93.0 -26.71 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 74.129999999999995 109.325 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 112.63 32.9 2.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 61.219999999999999 110.959 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.28 115.02 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 75.519999999999996 110.027 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 89.2 mt -93.98 100.24 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 70.409999999999997 109.323 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 p -64.89 168.61 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 72.540000000000006 110.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.476 ' CB ' HG12 ' A' ' 48' ' ' VAL . 1.4 t -67.93 -17.52 64.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 73.340000000000003 109.979 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -26.94 28.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 75.310000000000002 109.993 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -90.66 -32.94 16.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.420000000000002 110.264 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' CD2' HG13 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -69.93 -51.32 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 64.239999999999995 109.325 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -68.11 -12.75 61.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 72.319999999999993 109.321 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.74 -26.19 61.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 73.310000000000002 110.397 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.563 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 1.6 t -86.45 -56.69 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 73.319999999999993 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.473 ' SD ' ' CD1' ' A' ' 41' ' ' LEU . 50.9 mmm -42.41 -50.58 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 63.32 110.982 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' SER . 7.6 ptm180 -62.86 -40.67 98.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 73.239999999999995 110.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 68.5 m -56.41 -19.19 13.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 70.209999999999994 110.011 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 465' ' ' ILE . 19.4 mt -92.59 -21.8 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 74.140000000000001 109.354 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.74 3.2 8.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 74.140000000000001 111.049 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 35.3 mt -80.29 -178.78 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 73.120000000000005 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.1 t -161.3 60.56 1.24 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.409999999999997 109.964 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 74.310000000000002 110.98 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.99 140.37 49.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 72.530000000000001 110.012 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -48.69 -28.25 3.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 73.230000000000004 110.351 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.9 -49.64 75.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 75.099999999999994 109.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.1 mt-10 -74.86 -50.34 17.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 75.400000000000006 110.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.476 HG12 ' CB ' ' A' ' 29' ' ' SER . 53.6 t -40.9 -37.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 63.219999999999999 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 92.6 m-20 -65.61 -62.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 71.230000000000004 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.46 -14.13 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 75.140000000000001 109.302 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.5 tm? -78.91 -54.51 5.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 109.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.483 ' CE ' ' O ' ' A' ' 27' ' ' ILE . 7.3 ptm -79.55 -14.03 59.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 74.129999999999995 110.997 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 8.3 m-80 -84.53 -8.03 59.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 72.329999999999998 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -88.75 -12.49 42.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 50.350000000000001 110.301 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 56' ' ' ASP . 2.7 mm -116.53 -37.79 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.310000000000002 109.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.1 t0 -38.24 120.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.129999999999995 109.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 19.9 t -83.16 -21.04 9.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-O 123.593 1.664 . . . . 73.329999999999998 109.322 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.501 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 49.8 p30 -113.25 -5.78 13.61 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.912 -1.042 . . . . 75.099999999999994 110.011 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 55.62 42.97 85.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 111.005 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 33.6 p-10 -92.52 13.88 18.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 72.230000000000004 109.284 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.673 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 22.2 t60 66.4 26.07 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 75.310000000000002 109.594 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 38.7 mt-30 -150.77 164.23 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 75.409999999999997 110.348 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.29 129.78 68.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 75.409999999999997 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.49 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -96.12 175.5 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 74.129999999999995 110.319 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.7 t80 -75.82 -12.32 60.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 73.209999999999994 110.991 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -92.35 -30.87 15.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 72.409999999999997 109.976 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 18.1 mt-10 -84.17 -52.22 6.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 71.120000000000005 110.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -54.17 -48.22 71.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 74.329999999999998 110.975 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' HB2' ' CB ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -67.09 -32.44 73.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 63.009999999999998 109.336 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.17 -15.74 58.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 65.319999999999993 109.319 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.447 ' CD2' ' SD ' ' A' ' 471' ' ' MET . 9.6 tp -75.57 -44.26 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 75.349999999999994 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -61.6 -36.26 80.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 75.510000000000005 111.011 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 p -88.43 15.63 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 72.230000000000004 110.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 72.430000000000007 110.326 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.233 -0.654 . . . . 71.400000000000006 109.233 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -51.57 -38.24 53.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.409999999999997 109.236 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 29.9 mm-40 -69.93 -59.94 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 74.310000000000002 110.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.473 ' HB3' ' CB ' ' A' ' 466' ' ' ALA . . . -61.47 -13.86 24.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 70.239999999999995 109.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.521 ' CG ' HD13 ' A' ' 137' ' ' ILE . 55.1 t80 -85.11 -42.07 15.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.319999999999993 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -84.53 -9.14 58.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 74.230000000000004 109.298 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -89.59 -45.08 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.230000000000004 109.292 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.607 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 2.1 m-85 -68.35 -41.78 80.22 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 123.614 1.674 . . . . 74.019999999999996 110.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.71 100.84 2.92 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.876 -1.059 . . . . 73.0 109.988 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.47 -35.03 23.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 75.129999999999995 109.276 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.455 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -73.36 -44.54 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 74.109999999999999 109.281 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.92 78.71 1.09 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 62.439999999999998 110.974 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -136.72 8.69 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 75.239999999999995 109.302 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.508 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 75.05 15.76 80.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 75.129999999999995 111.034 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 1.1 mt -149.95 110.63 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 72.540000000000006 109.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.425 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 64.0 mt -73.82 96.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 63.530000000000001 109.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.8 t -59.9 174.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.450000000000003 109.98 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -50.53 -66.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 71.109999999999999 109.255 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.484 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -42.25 -65.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 54.520000000000003 109.314 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -39.18 -28.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 75.010000000000005 110.295 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.446 ' N ' ' C ' ' A' ' 103' ' ' ALA . 0.6 OUTLIER -90.59 -72.86 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 74.409999999999997 109.324 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.484 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -45.25 -59.36 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 70.409999999999997 109.296 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.551 ' CD2' HG22 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.82 -38.38 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 73.200000000000003 109.602 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.607 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -72.84 -37.85 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 75.329999999999998 109.352 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 1.6 mm? -64.31 -36.01 82.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 74.349999999999994 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.2 m -74.58 -32.34 62.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 74.25 110.388 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -14.92 20.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.040000000000006 109.992 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.475 ' CG2' HD13 ' A' ' 465' ' ' ILE . 10.4 pt -109.55 -32.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 73.310000000000002 109.277 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.03 -40.12 0.76 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 74.239999999999995 111.06 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 109' ' ' LEU . 22.9 mm-40 -49.18 111.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 70.209999999999994 110.309 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -110.59 97.16 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 75.329999999999998 109.276 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.47 ' CD2' ' HE1' ' A' ' 124' ' ' MET . 5.3 mp -113.86 146.96 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 73.140000000000001 109.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.9 p -76.61 155.51 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 73.109999999999999 110.4 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.47 -24.65 32.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.519999999999996 109.317 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.82 -28.11 28.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.099999999999994 109.303 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -75.29 -49.33 19.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 74.230000000000004 110.311 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 9.8 p -63.05 -52.89 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 72.129999999999995 109.342 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.467 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 4.2 t70 -47.53 -24.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 74.140000000000001 109.284 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 121' ' ' VAL . 3.1 t0 -91.15 -35.59 14.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 74.25 109.308 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.47 ' HE1' ' CD2' ' A' ' 116' ' ' LEU . 33.1 ttm -60.41 -35.14 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 74.409999999999997 111.022 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 127' ' ' GLU . 6.2 mt -63.56 -51.44 65.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 71.340000000000003 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 29.8 mtt180 -37.5 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 75.019999999999996 110.335 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 89.4 mt-10 -44.75 -49.31 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 72.140000000000001 110.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.493 ' CG1' ' HB2' ' A' ' 142' ' ' ALA . 20.8 m -130.65 8.9 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 63.439999999999998 109.308 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 132' ' ' SER . 1.3 p -97.21 1.69 50.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 70.239999999999995 109.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.4 t70 42.14 28.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.299 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 129' ' ' SER . . . 72.51 45.33 37.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.117 . . . . 63.020000000000003 111.035 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.9 OUTLIER -96.83 -70.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 75.319999999999993 109.951 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.58 -13.12 1.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 63.109999999999999 110.984 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.432 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 26.1 mt-10 -149.51 161.55 41.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 74.420000000000002 110.277 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.408 ' HA ' ' NE2' ' A' ' 139' ' ' GLN . 5.4 pt -127.84 129.92 69.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 64.200000000000003 109.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.432 ' OD1' ' CD2' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -95.69 -174.99 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 72.400000000000006 109.298 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.521 HD13 ' CG ' ' A' ' 89' ' ' PHE . 11.0 tp -56.36 -17.39 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 75.109999999999999 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -88.87 -52.17 5.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 62.350000000000001 110.291 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 142' ' ' ALA . 29.7 mt-30 -68.74 -56.77 6.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 73.530000000000001 110.305 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 136' ' ' ASN . 19.4 t80 -44.15 -47.29 9.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 111.001 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.468 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . . . -64.02 -30.68 71.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 73.549999999999997 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.493 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . . . -52.69 -23.11 6.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 62.43 109.275 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.45 -49.55 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.439999999999998 109.308 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.443 ' CD2' ' HB2' ' A' ' 459' ' ' ARG . 0.9 OUTLIER -86.7 11.09 13.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 74.200000000000003 109.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 141' ' ' ALA . 34.2 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 110.033 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.31 -0.256 . . . . 72.329999999999998 110.31 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -75.85 -18.24 59.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 74.310000000000002 109.269 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . 0.449 ' CB ' ' OE2' ' A' ' 14' ' ' GLU . . . -86.19 -16.15 38.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.439999999999998 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.96 -51.43 47.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 63.43 109.282 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.443 ' HB2' ' CD2' ' A' ' 144' ' ' LEU . 1.5 ptp180 -60.25 -37.61 80.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 74.430000000000007 110.269 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 11' ' ' GLU . 16.2 t30 -59.55 -34.9 73.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 63.119999999999997 109.273 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.473 ' HG3' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -53.73 -28.69 35.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 72.049999999999997 109.292 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 25.6 mt -90.07 -30.13 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 72.329999999999998 109.285 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 460' ' ' ASN . 6.5 mp -50.99 -37.81 47.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 72.510000000000005 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.467 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -77.53 -54.39 6.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 65.319999999999993 109.298 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.475 HD13 ' CG2' ' A' ' 112' ' ' ILE . 10.0 mt -51.7 -25.33 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 72.239999999999995 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 88' ' ' ALA . . . -87.22 -60.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.549999999999997 109.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 470' ' ' ARG . 7.0 mttm -58.13 -65.53 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 74.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.555 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 67.4 t -38.71 -30.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 73.239999999999995 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.9 OUTLIER -79.3 -51.52 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 72.5 110.031 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.3 tmt_? -53.78 -41.25 67.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.349999999999994 110.341 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.462 ' HA ' ' CG1' ' A' ' 474' ' ' VAL . 6.3 mtp -50.76 -20.99 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 75.209999999999994 110.967 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 26.2 t80 -89.54 -26.91 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 74.120000000000005 111.012 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.4 t -90.56 -3.23 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.340000000000003 109.984 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 9.9 p -106.43 -48.69 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 73.420000000000002 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.07 -34.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 73.120000000000005 109.279 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 71.299999999999997 110.278 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.3 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.36 -0.237 . . . . 71.319999999999993 110.36 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -40.97 -39.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.519999999999996 110.323 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -67.36 -44.37 79.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 64.439999999999998 110.281 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.444 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.8 mm100 -57.7 -31.42 66.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.519999999999996 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.533 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.3 mm -69.68 -22.19 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 72.349999999999994 109.325 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.58 -12.71 57.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 64.400000000000006 109.311 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 66.2 mt-10 -76.3 -62.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 75.319999999999993 110.273 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 32.5 m-85 -53.54 -21.76 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 74.030000000000001 111.022 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.576 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 10.3 mmtt -51.72 -47.39 64.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 73.340000000000003 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.9 -45.82 66.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.019999999999996 110.311 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.567 ' O ' ' CZ ' ' A' ' 68' ' ' PHE . . . -60.91 -15.49 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 71.400000000000006 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 4.3 t80 -85.42 -41.58 15.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 74.209999999999994 110.963 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -24.31 64.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 73.530000000000001 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 73.2 mt -44.33 -40.59 5.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 72.340000000000003 109.286 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 7.6 m-85 -112.39 -36.91 5.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 74.439999999999998 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -67.51 86.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.109999999999999 109.312 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -62.52 -66.61 0.51 Allowed 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.6 1.667 . . . . 73.040000000000006 109.259 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.84 -11.38 59.97 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.878 -1.058 . . . . 75.319999999999993 110.004 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 55.94 57.78 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 72.450000000000003 109.298 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 11.3 p30 -91.69 -21.33 20.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 75.420000000000002 109.325 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 106.05 34.56 3.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.114 . . . . 62.109999999999999 111.005 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.97 112.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 74.430000000000007 110.007 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.554 HD13 ' CE1' ' A' ' 16' ' ' PHE . 61.9 mt -95.25 99.2 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.329999999999998 109.281 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -67.49 161.95 24.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 60.530000000000001 110.044 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.469 ' CB ' HG13 ' A' ' 48' ' ' VAL . 2.2 t -57.04 -17.27 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 62.399999999999999 109.999 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.56 -25.39 26.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 71.329999999999998 109.993 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' CG2' ' A' ' 34' ' ' THR . 42.9 mt-10 -90.67 -33.34 15.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 65.219999999999999 110.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 33' ' ' ALA . 1.3 tt -68.2 -52.59 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 72.510000000000005 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . . . -66.67 -12.13 56.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.430000000000007 109.342 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -68.82 -26.06 64.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 64.519999999999996 110.353 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.567 ' HB ' ' CD2' ' A' ' 19' ' ' PHE . 2.0 t -89.8 -61.45 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 75.319999999999993 109.293 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.568 ' HE3' ' CD2' ' A' ' 472' ' ' PHE . 82.3 mtp -41.12 -53.6 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 73.519999999999996 111.022 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.484 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.4 ptp180 -60.27 -42.69 95.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 110.322 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 37.1 m -56.09 -36.28 67.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 73.409999999999997 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 465' ' ' ILE . 20.1 mt -69.77 -22.54 63.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 71.030000000000001 109.302 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.1 2.45 8.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 73.540000000000006 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD12 ' CA ' ' A' ' 36' ' ' MET . 5.9 mt -77.42 -172.82 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 74.349999999999994 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -163.39 61.65 1.05 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 75.099999999999994 109.957 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 139.87 24.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 73.319999999999993 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 p -84.14 140.47 31.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 55.43 110.043 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 24.7 tt0 -51.87 -27.56 13.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 74.230000000000004 110.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.97 74.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 75.409999999999997 109.304 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.31 -51.58 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 71.349999999999994 110.297 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.469 HG13 ' CB ' ' A' ' 29' ' ' SER . 55.5 t -40.47 -34.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 73.049999999999997 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 87.8 m-20 -65.0 -64.93 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 53.219999999999999 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -58.22 -16.57 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 73.310000000000002 109.271 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.3 tm? -77.41 -55.37 5.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 75.219999999999999 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 27' ' ' ILE . 1.3 ptp -77.66 -14.0 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 63.530000000000001 111.008 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -86.45 -8.02 57.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 61.100000000000001 109.288 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.453 ' C ' ' CD1' ' A' ' 55' ' ' ILE . 6.3 mm-40 -91.02 -7.55 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 73.5 110.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.453 ' CD1' ' C ' ' A' ' 54' ' ' GLU . 1.1 mm -117.73 -46.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 72.129999999999995 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 3.5 t0 -38.68 120.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 74.040000000000006 109.318 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.98 -18.48 11.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.631 1.682 . . . . 65.430000000000007 109.31 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.8 p-10 -114.4 -7.25 12.89 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.919 -1.039 . . . . 63.140000000000001 109.994 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.26 41.04 92.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 64.540000000000006 110.975 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.2 p-10 -90.15 17.32 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 71.019999999999996 109.258 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.656 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 55.2 t60 59.25 34.4 23.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 63.210000000000001 109.596 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 44.8 mt-30 -158.81 148.94 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 74.439999999999998 110.334 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.67 127.42 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 74.239999999999995 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.562 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -91.57 179.44 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 72.049999999999997 110.297 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.618 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.9 t80 -76.16 -12.88 60.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 73.030000000000001 111.025 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.3 t -94.73 -40.65 9.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 74.219999999999999 110.011 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.83 -50.02 46.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 64.549999999999997 110.322 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 79.3 t80 -57.71 -40.81 80.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.150000000000006 110.981 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.516 ' HB2' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -69.99 -33.59 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 73.099999999999994 109.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -74.29 -16.14 60.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.468 ' CD2' ' HE3' ' A' ' 471' ' ' MET . 58.9 tp -75.14 -48.83 21.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.340000000000003 109.273 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.446 ' CA ' ' NZ ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -57.11 -36.68 70.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 73.099999999999994 110.99 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -93.25 11.82 26.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 75.549999999999997 109.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 72.329999999999998 110.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.474 ' CD2' ' HB1' ' A' ' 141' ' ' ALA . 8.2 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.289 -0.634 . . . . 70.540000000000006 109.289 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.79 -45.14 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 62.350000000000001 109.324 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.521 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 5.3 mm-40 -54.33 -45.17 72.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 72.049999999999997 110.311 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.474 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -76.89 -28.8 55.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 72.549999999999997 109.317 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 9.0 t80 -63.48 -64.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 74.340000000000003 111.037 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -29.95 69.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 65.310000000000002 109.273 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 2.2 t -63.57 -54.59 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 74.519999999999996 109.325 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.647 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.8 m-85 -66.08 -40.09 90.57 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.627 1.679 . . . . 72.120000000000005 111.031 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.27 97.43 2.99 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.868 -1.063 . . . . 75.140000000000001 109.98 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -31.22 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 75.140000000000001 109.289 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.468 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.96 -45.47 27.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 75.140000000000001 109.3 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.59 77.72 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 52.310000000000002 111.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.88 10.38 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 73.109999999999999 109.302 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.504 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 69.87 18.9 74.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 61.149999999999999 111.014 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.3 mt -149.86 114.69 5.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 75.349999999999994 109.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.5 mt -80.63 104.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 73.540000000000006 109.314 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 t -71.4 -174.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 75.010000000000005 110.009 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.479 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -53.66 -71.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 51.299999999999997 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.505 ' HA ' ' CG ' ' A' ' 106' ' ' LYS . . . -40.83 -66.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 74.549999999999997 109.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' ALA . 74.6 mt-10 -38.38 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.109999999999999 110.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -94.38 -73.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 74.430000000000007 109.302 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 103' ' ' ALA . 1.1 ptmm? -45.6 -56.18 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 75.409999999999997 109.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.544 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.87 -42.88 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 73.409999999999997 109.575 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.647 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -66.07 -49.39 76.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 71.439999999999998 109.326 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.488 ' O ' ' CG1' ' A' ' 112' ' ' ILE . 1.2 mt -59.63 -26.87 65.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 73.400000000000006 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 1.8 m -85.08 -10.27 57.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 110.403 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.4 t -85.4 -0.29 54.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 74.049999999999997 109.965 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 109' ' ' LEU . 6.3 pt -109.67 -32.91 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 74.25 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 145.08 -35.9 1.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 71.420000000000002 110.99 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -61.15 173.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 75.349999999999994 110.358 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 1.0 OUTLIER -156.56 129.52 7.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 73.129999999999995 109.27 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.539 ' CD2' ' CE ' ' A' ' 124' ' ' MET . 1.6 mp -124.1 143.99 50.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 74.200000000000003 109.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.2 p -73.41 154.14 40.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 74.239999999999995 110.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -27.77 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 75.299999999999997 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.27 -23.89 30.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 74.209999999999994 109.324 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -76.07 -57.11 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 73.5 110.319 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.526 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 0.7 OUTLIER -59.34 -50.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 75.299999999999997 109.316 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.526 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 15.5 t70 -49.64 -26.1 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 70.019999999999996 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -32.44 16.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 65.150000000000006 109.312 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.539 ' CE ' ' CD2' ' A' ' 116' ' ' LEU . 56.4 ttm -58.19 -37.9 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 74.120000000000005 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 127' ' ' GLU . 0.3 OUTLIER -66.16 -57.02 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 72.129999999999995 109.284 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 125' ' ' LEU . 45.5 mtt180 -35.21 -33.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 75.409999999999997 110.265 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 125' ' ' LEU . 77.9 mt-10 -42.76 -51.18 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 74.219999999999999 110.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.501 ' CB ' ' HB1' ' A' ' 142' ' ' ALA . 33.1 m -132.84 11.83 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 73.420000000000002 109.309 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.3 p -96.76 13.86 27.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 71.329999999999998 109.995 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.6 t70 40.01 46.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 73.430000000000007 109.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.86 44.37 87.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 50.310000000000002 110.983 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 129' ' ' SER . 28.9 t -104.7 -82.57 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 74.319999999999993 110.024 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 158.97 -24.41 0.33 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 73.340000000000003 110.939 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -120.19 174.59 6.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 0.76 . . . . 74.230000000000004 110.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 143' ' ' LEU . 9.0 pt -147.13 126.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 71.310000000000002 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 138' ' ' GLN . 0.2 OUTLIER -90.49 173.58 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 75.230000000000004 109.257 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 85' ' ' LEU . 5.8 tp -45.27 -26.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 71.239999999999995 109.315 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.426 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 3.6 mm-40 -80.88 -58.42 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 74.439999999999998 110.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 21.2 mt-30 -63.16 -56.46 16.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 72.439999999999998 110.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.439 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 44.8 t80 -42.3 -50.45 5.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 73.310000000000002 110.964 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.474 ' HB1' ' CD2' ' A' ' 85' ' ' LEU . . . -61.27 -34.41 75.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 64.329999999999998 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 139' ' ' GLN . . . -46.55 -37.36 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 72.409999999999997 109.331 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.0 OUTLIER -65.1 -43.97 90.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 72.120000000000005 109.293 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 144' ' ' LEU . 2.6 mt -69.24 -11.13 60.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 72.430000000000007 109.326 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 65.340000000000003 110.026 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.298 -0.26 . . . . 75.420000000000002 110.298 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 459' ' ' ARG . 5.0 ptmt -59.3 -21.75 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 63.329999999999998 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -92.05 -16.71 26.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 75.219999999999999 109.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . 0.457 HD11 ' CE ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -82.08 -64.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 75.109999999999999 109.288 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 456' ' ' LYS . 4.1 ptp85 -58.66 -27.87 65.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 74.439999999999998 110.355 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.456 ' HA ' ' CD2' ' A' ' 463' ' ' LEU . 10.0 t30 -69.93 -39.07 76.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 73.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -54.24 -29.37 46.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.129999999999995 109.291 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 92' ' ' PHE . 14.8 mt -86.18 -28.82 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 460' ' ' ASN . 0.1 OUTLIER -58.64 -40.68 84.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 74.129999999999995 109.314 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.469 ' CA ' HG22 ' A' ' 468' ' ' VAL . . . -73.96 -59.5 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 74.109999999999999 109.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.458 ' CG2' HD12 ' A' ' 39' ' ' LEU . 19.0 mt -42.8 -30.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 73.25 109.286 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -86.84 -71.96 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.049999999999997 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 470' ' ' ARG . 25.1 mtpt -45.4 -61.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 73.25 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.49 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 58.3 t -46.72 -46.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 74.120000000000005 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 26.9 t -65.98 -27.0 67.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 75.239999999999995 110.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -74.21 -44.95 51.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 74.420000000000002 110.302 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.468 ' HE3' ' CD2' ' A' ' 71' ' ' LEU . 2.3 mtm -45.21 -23.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 74.25 111.001 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.568 ' CD2' ' HE3' ' A' ' 36' ' ' MET . 18.1 t80 -88.71 -33.79 17.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 75.510000000000005 111.032 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 470' ' ' ARG . 2.7 m -80.98 -1.93 45.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 65.25 109.995 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 12.0 p -111.69 -47.16 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 74.040000000000006 109.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.27 -36.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 64.049999999999997 109.27 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 74.150000000000006 110.232 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.6 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.39 -0.226 . . . . 73.239999999999995 110.39 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -40.04 -39.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 62.229999999999997 110.351 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.87 -46.48 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 62.210000000000001 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 5' ' ' THR . 12.6 mm100 -56.07 -30.59 62.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 74.120000000000005 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.8 mm -67.9 -27.1 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.540000000000006 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.79 -12.55 59.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 74.140000000000001 109.257 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.48 ' CD ' ' CD ' ' A' ' 456' ' ' LYS . 6.0 mm-40 -76.05 -71.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 71.129999999999995 110.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.513 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 38.8 m-85 -41.17 -28.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 71.140000000000001 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 29.5 mttt -50.68 -49.03 58.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 63.140000000000001 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 461' ' ' LYS . 72.3 mt-10 -61.34 -43.85 98.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.519999999999996 110.252 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.485 ' O ' ' CZ ' ' A' ' 68' ' ' PHE . . . -66.39 -15.2 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 71.420000000000002 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 27' ' ' ILE . 4.5 t80 -85.94 -37.81 18.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 72.409999999999997 110.999 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.07 -19.96 63.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 63.130000000000003 109.252 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 52.9 mt -49.76 -41.77 44.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 62.219999999999999 109.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE2' ' HB ' ' A' ' 35' ' ' VAL . 3.1 m-85 -109.75 -47.2 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.510000000000005 111.027 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.54 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -58.25 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 60.43 109.286 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' CE ' ' CG2' ' A' ' 34' ' ' THR . 31.4 mmtt -66.85 -67.14 0.47 Allowed 'General case' 0 C--O 1.215 -0.734 0 CA-C-O 123.638 1.685 . . . . 74.439999999999998 109.27 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -75.7 -8.27 56.4 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 117.887 -1.054 . . . . 72.239999999999995 109.981 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.9 m-80 52.0 61.39 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 74.310000000000002 109.295 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.4 p30 -91.72 -22.57 20.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 72.099999999999994 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 110.04 31.06 3.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 64.5 111.004 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.94 111.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 71.329999999999998 109.985 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 16' ' ' PHE . 94.9 mt -91.15 104.27 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 75.120000000000005 109.279 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.54 158.85 35.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 70.25 109.975 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.427 ' CB ' HG12 ' A' ' 48' ' ' VAL . 1.5 t -55.14 -24.31 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 75.120000000000005 109.996 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.7 -26.15 44.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 74.310000000000002 109.943 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.503 ' O ' ' CG2' ' A' ' 34' ' ' THR . 40.1 mt-10 -90.59 -30.03 17.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 74.040000000000006 110.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 48' ' ' VAL . 1.7 tt -70.19 -52.46 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 74.530000000000001 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.447 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -67.07 -12.4 59.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 74.540000000000006 109.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -68.43 -24.3 64.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 75.239999999999995 110.384 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -91.34 -61.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 72.310000000000002 109.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.517 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 95.2 mtp -41.81 -57.77 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 64.400000000000006 110.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 5.2 ptp180 -55.27 -40.64 71.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 72.209999999999994 110.255 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 7.8 t -57.0 -34.02 67.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 73.310000000000002 109.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 465' ' ' ILE . 23.4 mt -74.36 -21.21 59.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.120000000000005 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.97 3.96 8.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 54.039999999999999 111.067 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.37 -176.89 4.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 71.319999999999993 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.47 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 55.6 m -161.73 60.77 1.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 75.230000000000004 109.997 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.98 144.45 30.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 74.239999999999995 111.018 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.0 p -88.02 140.33 29.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 74.340000000000003 109.974 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 18.0 tt0 -50.31 -27.88 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 63.229999999999997 110.306 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -49.37 76.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 62.439999999999998 109.321 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 475' ' ' LEU . 1.0 OUTLIER -75.76 -51.92 11.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 73.409999999999997 110.276 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 HG13 ' CD2' ' A' ' 32' ' ' LEU . 55.5 t -39.91 -34.79 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 73.519999999999996 109.347 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 90.5 m-20 -67.01 -63.14 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 73.129999999999995 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.52 -16.8 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 72.129999999999995 109.332 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.3 tm? -80.07 -52.44 7.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 72.040000000000006 109.309 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 62' ' ' GLN . 10.9 ptm -79.16 -11.89 59.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 73.400000000000006 111.015 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' ASN . 6.6 m-80 -87.28 -8.2 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 72.439999999999998 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -81.39 -21.77 38.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 62.530000000000001 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.431 ' CD1' HD12 ' A' ' 71' ' ' LEU . 1.9 mm -107.35 -40.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 71.340000000000003 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.5 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 5.0 t0 -39.27 116.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 74.420000000000002 109.28 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.8 t -94.93 -7.78 9.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 123.631 1.681 . . . . 75.099999999999994 109.285 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 42.1 p-10 -117.62 -10.94 10.5 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 117.941 -1.028 . . . . 75.319999999999993 110.007 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 62.73 36.26 93.06 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.426 1.079 . . . . 74.530000000000001 110.973 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.5 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 31.4 p-10 -92.42 27.3 2.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 72.400000000000006 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.634 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 47.1 t60 43.41 42.52 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 65.420000000000002 109.585 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.528 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 37.3 mt-30 -160.95 162.35 31.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 65.430000000000007 110.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 52' ' ' MET . 0.3 OUTLIER -111.4 126.19 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 74.310000000000002 109.328 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.464 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -94.15 175.23 6.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 73.430000000000007 110.294 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.594 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.2 t80 -74.53 -12.69 60.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 75.530000000000001 110.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -90.9 -43.0 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 73.450000000000003 109.993 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -70.37 -56.03 7.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 110.301 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 86.7 t80 -50.22 -45.98 54.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 75.329999999999998 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.513 ' HB2' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -67.34 -34.19 76.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 74.420000000000002 109.292 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.63 -16.3 62.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 74.540000000000006 109.304 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 74' ' ' ARG . 15.8 tp -77.04 -60.64 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 75.040000000000006 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.472 ' HE2' ' CB ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -39.9 -49.5 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 75.019999999999996 110.954 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 m -72.75 -33.19 66.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 63.350000000000001 110.027 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 75.439999999999998 110.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 141' ' ' ALA . 7.1 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.293 -0.632 . . . . 74.400000000000006 109.293 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 pp -57.19 -46.92 82.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 64.310000000000002 109.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.516 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 43.2 mm-40 -51.69 -44.45 63.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 75.25 110.313 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.453 ' HB1' ' CB ' ' A' ' 466' ' ' ALA . . . -80.59 -24.65 39.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 64.519999999999996 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.7 t80 -66.18 -64.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 72.450000000000003 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -61.02 -31.26 70.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 71.099999999999994 109.289 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 2.1 t -60.94 -56.38 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 75.140000000000001 109.3 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.632 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.7 m-85 -64.56 -43.8 92.77 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 123.623 1.678 . . . . 74.230000000000004 111.004 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.86 99.01 1.32 Allowed 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 117.896 -1.049 . . . . 72.439999999999998 109.98 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -30.22 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 71.329999999999998 109.339 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -78.32 -43.5 27.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 72.109999999999999 109.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.96 78.52 1.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 74.140000000000001 110.971 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.62 11.46 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 74.430000000000007 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.498 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 68.08 18.81 71.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 72.25 110.989 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -149.88 111.34 4.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 0.798 . . . . 64.530000000000001 109.279 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.459 HD12 ' CB ' ' A' ' 92' ' ' PHE . 64.6 mt -77.13 104.74 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 71.549999999999997 109.306 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -70.22 -175.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 64.129999999999995 110.012 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -54.01 -70.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 51.520000000000003 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.16 -67.15 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 75.239999999999995 109.256 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ALA . 36.3 mt-10 -37.64 -29.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.430000000000007 110.284 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.49 ' CD1' ' CD1' ' A' ' 135' ' ' ILE . 0.4 OUTLIER -93.05 -72.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 63.450000000000003 109.307 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -46.04 -56.99 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.019999999999996 109.274 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.587 ' CD2' HG21 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -47.2 -42.13 19.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 75.310000000000002 109.631 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.632 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -64.95 -48.4 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 72.049999999999997 109.284 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 114' ' ' GLU . 2.8 mm? -59.69 -30.02 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 74.510000000000005 109.322 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.5 m -82.12 -23.83 35.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 73.510000000000005 110.404 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 38' ' ' SER . 0.4 OUTLIER -71.98 -7.87 51.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 72.439999999999998 109.988 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.476 HD13 ' CD2' ' A' ' 18' ' ' LEU . 15.6 pt -114.61 -33.09 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 64.319999999999993 109.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.16 -34.43 0.85 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 52.119999999999997 111.039 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' LEU . 10.8 mm-40 -61.46 111.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 65.349999999999994 110.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -108.91 105.11 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 109.289 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.456 ' CD2' ' HE3' ' A' ' 124' ' ' MET . 5.9 mp -115.04 146.51 41.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.1 p -79.41 157.84 27.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 74.409999999999997 110.398 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 0.8 OUTLIER -54.3 -32.64 56.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 72.209999999999994 109.326 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.73 -24.96 53.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 72.239999999999995 109.332 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -77.71 -55.69 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 72.209999999999994 110.315 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -64.08 -50.44 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 75.140000000000001 109.326 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.517 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 12.7 t0 -47.6 -24.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 74.129999999999995 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.67 -35.24 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 74.25 109.309 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.456 ' HE3' ' CD2' ' A' ' 116' ' ' LEU . 28.3 ttm -63.82 -30.73 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 75.299999999999997 110.941 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 127' ' ' GLU . 12.7 mt -68.34 -58.34 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 74.219999999999999 109.289 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.442 ' HA ' ' OG ' ' A' ' 129' ' ' SER . 15.1 mtt-85 -36.32 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 71.109999999999999 110.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.5 mm-40 -43.39 -49.29 7.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 73.400000000000006 110.321 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 142' ' ' ALA . 31.2 m -132.49 8.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 73.329999999999998 109.271 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.45 ' HB3' ' C ' ' A' ' 125' ' ' LEU . 1.4 p -91.95 1.92 56.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 71.109999999999999 109.966 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.3 t70 51.12 27.17 3.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 74.25 109.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . . . 89.27 -23.64 17.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.152 . . . . 64.319999999999993 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 133' ' ' GLY . 86.2 p -39.07 -78.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 71.239999999999995 110.016 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.442 ' N ' ' OG ' ' A' ' 132' ' ' SER . . . 147.84 -17.64 1.41 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 111.027 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.6 mt-10 -119.96 178.9 4.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 0.772 . . . . 74.239999999999995 110.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.49 ' CD1' ' CD1' ' A' ' 105' ' ' LEU . 5.4 pt -148.03 119.86 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 73.319999999999993 109.341 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 138' ' ' GLN . 0.2 OUTLIER -87.56 175.87 7.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 73.25 109.323 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 85' ' ' LEU . 5.3 tp -47.58 -23.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 73.219999999999999 109.262 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.423 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 2.9 mm-40 -84.12 -58.3 2.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.333 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 142' ' ' ALA . 22.5 mt-30 -62.19 -55.99 23.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 73.329999999999998 110.326 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.415 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 37.6 t80 -43.1 -46.55 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.25 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.473 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . . . -64.12 -32.91 74.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 63.200000000000003 109.311 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 139' ' ' GLN . . . -46.82 -36.31 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 53.219999999999999 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.464 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 1.0 OUTLIER -61.46 -62.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 75.120000000000005 109.305 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.05 -22.43 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 72.200000000000003 109.303 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.986 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.258 -0.275 . . . . 74.430000000000007 110.258 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.48 ' CD ' ' CD ' ' A' ' 11' ' ' GLU . 3.3 ptpt -68.18 -30.75 69.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.219999999999999 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -92.32 -16.24 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.129999999999995 109.303 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.95 -57.2 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 70.319999999999993 109.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 143' ' ' LEU . 3.5 ptp180 -71.6 -19.83 62.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 74.510000000000005 110.275 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.431 ' HA ' ' CD2' ' A' ' 463' ' ' LEU . 19.5 t30 -63.7 -31.07 72.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.340000000000003 109.289 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.459 ' CG ' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -57.03 -26.72 60.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 75.310000000000002 109.269 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.553 HG23 ' CE1' ' A' ' 92' ' ' PHE . 7.4 mt -86.5 -35.96 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 74.200000000000003 109.278 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 460' ' ' ASN . 0.6 OUTLIER -46.78 -46.58 20.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 74.120000000000005 109.338 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.455 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -71.87 -59.87 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 50.149999999999999 109.353 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.47 ' CG2' HD12 ' A' ' 39' ' ' LEU . 93.4 mt -40.36 -31.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 71.329999999999998 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.453 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . . . -87.02 -72.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 75.239999999999995 109.313 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.472 ' CB ' ' HE2' ' A' ' 72' ' ' MET . 35.4 mttt -40.37 -67.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 75.409999999999997 109.29 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.487 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 55.7 t -39.12 -38.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 74.019999999999996 109.326 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 466' ' ' ALA . 0.1 OUTLIER -71.73 -68.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 74.129999999999995 109.947 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.474 ' HD3' ' CG2' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -37.06 -51.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 75.099999999999994 110.303 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.469 ' HE1' ' CD1' ' A' ' 51' ' ' LEU . 2.2 mtm -42.11 -49.98 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 111.029 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.517 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 10.7 t80 -50.26 -37.46 36.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.140000000000001 110.996 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -71.22 -25.76 62.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 72.420000000000002 109.993 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.474 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 45.0 t -79.52 -52.01 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 74.310000000000002 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -43.14 -37.67 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.010000000000005 109.297 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 74.329999999999998 110.3 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.5 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.403 -0.221 . . . . 65.510000000000005 110.403 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -41.44 -35.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 63.210000000000001 110.332 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -67.88 -46.7 70.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 74.230000000000004 110.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.439 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 11.8 mm100 -57.06 -35.94 69.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.200000000000003 110.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.7 mm -65.58 -21.88 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 75.439999999999998 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.1 -12.33 57.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 64.230000000000004 109.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -81.34 -64.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 75.519999999999996 110.338 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 52.2 m-85 -50.27 -24.35 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.430000000000007 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.4 mtmt -56.17 -38.86 71.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.272 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.448 ' CB ' ' HE2' ' A' ' 461' ' ' LYS . 5.3 mm-40 -70.42 -45.41 65.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 64.120000000000005 110.281 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.98 -15.33 42.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 73.530000000000001 109.302 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 5.8 t80 -83.04 -36.45 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 74.420000000000002 111.026 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -27.1 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 75.439999999999998 109.256 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 72.8 mt -41.53 -34.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 74.409999999999997 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 5.6 m-85 -116.07 -54.28 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 72.439999999999998 111.027 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.587 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -50.91 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 74.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' PHE . 39.0 mmtt -72.75 -67.03 0.59 Allowed 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 123.636 1.684 . . . . 72.530000000000001 109.297 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -71.48 -3.51 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.903 -1.046 . . . . 75.030000000000001 109.976 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.9 m120 44.38 63.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 71.150000000000006 109.271 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 18.5 p-10 -96.07 -24.71 16.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 73.540000000000006 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.36 29.4 3.21 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.118 . . . . 74.340000000000003 111.004 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.91 111.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 75.420000000000002 110.003 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.565 HD12 ' CE1' ' A' ' 16' ' ' PHE . 54.1 mt -84.94 109.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 72.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 p -67.73 168.15 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 64.319999999999993 109.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.458 ' CB ' HG12 ' A' ' 48' ' ' VAL . 1.6 t -68.7 -33.57 74.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 75.329999999999998 109.995 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.07 -20.63 60.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 62.229999999999997 110.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.509 ' O ' ' CG2' ' A' ' 34' ' ' THR . 45.9 mt-10 -90.81 -40.28 11.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 73.530000000000001 110.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.39 -51.72 64.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 75.340000000000003 109.246 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.87 -12.12 52.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.25 109.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -70.14 -29.53 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 74.450000000000003 110.429 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.554 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 1.8 t -83.33 -65.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 73.150000000000006 109.343 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.485 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 78.7 mtp -41.03 -48.28 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 64.409999999999997 110.975 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.1 ptm180 -62.35 -39.21 92.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.450000000000003 110.346 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.424 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.0 m -61.18 -15.66 36.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 54.32 110.009 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 465' ' ' ILE . 8.7 mt -91.54 -19.01 23.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.37 -3.72 8.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.097 . . . . 71.510000000000005 110.955 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.5 mt -73.19 -178.25 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 75.519999999999996 109.307 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.485 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 11.5 p -159.8 59.92 1.4 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 75.040000000000006 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -75.01 115.3 4.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 74.340000000000003 111.031 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.24 139.97 57.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 64.200000000000003 110.015 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.477 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 27.4 tt0 -43.25 -43.74 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 74.450000000000003 110.325 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.96 -50.74 18.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 53.109999999999999 109.272 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.18 -48.16 37.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 74.519999999999996 110.333 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.458 HG12 ' CB ' ' A' ' 29' ' ' SER . 98.7 t -43.12 -32.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 74.109999999999999 109.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.572 HD21 ' N ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -65.25 -63.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 71.439999999999998 109.27 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.57 -13.82 35.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 74.239999999999995 109.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.501 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.2 tm? -79.13 -53.44 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 75.200000000000003 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 61' ' ' HIS . 1.8 ptp -76.45 -21.55 55.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 72.409999999999997 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -78.33 -7.88 57.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 75.230000000000004 109.293 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -85.64 -13.95 47.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.400000000000006 110.319 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.452 ' CD1' ' SD ' ' A' ' 471' ' ' MET . 1.4 mm -117.98 -40.83 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 63.420000000000002 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.51 ' HD2' ' N ' ' A' ' 61' ' ' HIS . 4.7 t0 -38.57 115.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 109.266 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 97.3 t -94.8 -7.22 10.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.687 1.708 . . . . 75.409999999999997 109.351 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 53.7 p-10 -120.12 -10.56 9.39 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.922 -1.037 . . . . 74.310000000000002 109.987 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 64.3 37.34 94.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 61.25 111.0 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.4 p-10 -96.76 31.88 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 71.439999999999998 109.283 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.644 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 48.4 t60 40.27 38.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 109.615 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.451 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 35.6 mt-30 -157.65 177.57 11.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 74.030000000000001 110.318 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.07 127.78 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 75.109999999999999 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -95.29 168.09 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.030000000000001 110.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.9 t80 -69.5 -13.15 62.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.120000000000005 111.043 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.9 p -87.22 -47.08 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 62.219999999999999 110.012 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 18.0 mt-10 -69.51 -49.14 57.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 65.129999999999995 110.311 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -53.67 -43.51 68.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 75.019999999999996 111.0 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -72.51 -34.6 67.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 75.239999999999995 109.305 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.37 -15.83 61.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 73.510000000000005 109.303 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.2 tp -73.46 -46.83 45.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 74.530000000000001 109.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' A' ' 467' ' ' LYS . 1.0 OUTLIER -61.76 -40.32 94.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 74.319999999999993 110.986 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.1 t -72.07 -9.93 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 75.340000000000003 109.993 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.473 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 72.510000000000005 110.302 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.498 ' CD1' ' CB ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.26 -0.645 . . . . 74.329999999999998 109.26 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.61 -47.73 80.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 71.150000000000006 109.273 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 56.8 mm-40 -54.11 -34.74 61.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 75.340000000000003 110.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.34 -20.94 22.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.530000000000001 109.328 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CG ' HD12 ' A' ' 137' ' ' ILE . 21.8 t80 -67.83 -63.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 75.239999999999995 111.007 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' CB ' ' NZ ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -63.27 -32.75 74.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 75.329999999999998 109.302 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 1.9 t -58.96 -57.44 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 73.030000000000001 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.7 m-85 -62.03 -42.9 99.67 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 123.624 1.678 . . . . 72.439999999999998 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.13 98.6 1.35 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 117.91 -1.043 . . . . 65.040000000000006 109.96 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -30.34 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.549999999999997 109.27 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.463 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -77.83 -45.41 24.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 75.530000000000001 109.317 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.35 77.69 1.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.455 1.097 . . . . 74.319999999999993 110.971 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.86 10.48 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 71.109999999999999 109.301 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 69.72 18.31 73.92 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 71.439999999999998 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.503 ' CD2' ' OD1' ' A' ' 136' ' ' ASN . 2.7 mt -149.7 110.56 4.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 72.430000000000007 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.469 HD11 ' CB ' ' A' ' 92' ' ' PHE . 68.9 mt -74.96 103.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 73.140000000000001 109.329 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -70.08 174.9 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 75.530000000000001 109.984 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -46.01 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 74.219999999999999 109.345 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.39 -67.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 64.239999999999995 109.315 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 103' ' ' ALA . 37.6 mt-10 -37.63 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.140000000000001 110.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 103' ' ' ALA . 0.5 OUTLIER -93.94 -72.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 73.040000000000006 109.325 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.497 ' CG ' ' HA ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -47.74 -55.79 8.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 72.400000000000006 109.27 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.591 ' CD2' HG22 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -47.98 -40.29 22.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.540000000000006 109.571 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.634 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -66.82 -50.1 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 74.319999999999993 109.276 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.0 -35.23 66.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 75.129999999999995 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 99.3 m -80.16 -16.87 53.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 60.32 110.394 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.0 -2.09 54.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.409999999999997 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.47 ' CG2' HD12 ' A' ' 465' ' ' ILE . 6.8 pt -115.83 -33.85 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 72.010000000000005 109.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.431 ' N ' HG13 ' A' ' 112' ' ' ILE . . . 153.6 -39.02 0.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 61.030000000000001 111.008 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 110' ' ' THR . 7.4 mm-40 -49.2 174.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 73.510000000000005 110.314 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.77 105.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 74.219999999999999 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.603 ' CD2' ' CE ' ' A' ' 124' ' ' MET . 5.9 mp -121.86 138.51 54.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 75.030000000000001 109.303 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.3 p -75.42 157.38 34.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 71.150000000000006 110.415 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 4.8 t70 -54.63 -23.03 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 74.430000000000007 109.313 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.11 -26.24 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 109.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -79.01 -50.86 10.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 75.030000000000001 110.254 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.528 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -66.69 -50.99 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 74.430000000000007 109.32 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.528 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 16.2 t70 -49.7 -25.3 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 65.439999999999998 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -37.02 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 71.219999999999999 109.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.603 ' CE ' ' CD2' ' A' ' 116' ' ' LEU . 4.3 tpp -56.32 -37.38 69.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 75.540000000000006 110.978 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 127' ' ' GLU . 9.6 mt -64.31 -54.47 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 72.310000000000002 109.259 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 125' ' ' LEU . 40.7 mtt180 -36.9 -31.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 75.109999999999999 110.272 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' LEU . 73.0 mm-40 -44.26 -50.14 9.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 74.129999999999995 110.3 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.513 ' CB ' ' HB3' ' A' ' 142' ' ' ALA . 33.0 m -132.18 11.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.439999999999998 109.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 132' ' ' SER . 2.4 p -98.21 5.33 48.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 70.140000000000001 109.982 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' SER . 25.8 t70 40.39 36.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 71.150000000000006 109.275 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.98 46.67 90.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 63.130000000000003 110.984 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 129' ' ' SER . 2.2 m -97.89 -72.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 61.43 109.995 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.26 -16.46 1.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 71.219999999999999 110.995 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.41 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 27.5 mt-10 -141.81 170.33 15.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 71.040000000000006 110.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 143' ' ' LEU . 4.8 pt -138.36 130.44 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.510000000000005 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.503 ' OD1' ' CD2' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.75 -174.36 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 75.439999999999998 109.284 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.506 HD12 ' CG ' ' A' ' 89' ' ' PHE . 11.2 tp -58.06 -16.46 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 73.430000000000007 109.326 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -90.34 -49.68 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 64.209999999999994 110.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 142' ' ' ALA . 29.4 mt-30 -70.53 -56.97 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 74.010000000000005 110.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.418 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 16.5 t80 -43.52 -49.12 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 72.549999999999997 110.989 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.498 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . . . -62.05 -31.83 72.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 73.200000000000003 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.513 ' HB3' ' CB ' ' A' ' 128' ' ' VAL . . . -55.33 -29.43 58.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 73.140000000000001 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.461 ' CD1' HD12 ' A' ' 135' ' ' ILE . 2.0 mt -74.45 -47.23 34.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 75.120000000000005 109.322 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.1 mt -74.22 -4.18 34.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 74.439999999999998 109.305 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 64.040000000000006 110.001 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.279 -0.267 . . . . 71.319999999999993 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -23.14 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 73.099999999999994 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . 0.442 ' O ' ' NZ ' ' A' ' 461' ' ' LYS . . . -75.15 -22.09 58.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 74.25 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.18 -52.39 65.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 74.310000000000002 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -69.68 -21.89 63.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 73.310000000000002 110.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.489 ' HA ' ' CD1' ' A' ' 463' ' ' LEU . 30.3 t30 -73.2 -23.6 60.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 75.200000000000003 109.32 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.66 ' HZ1' ' N ' ' A' ' 461' ' ' LYS . 0.3 OUTLIER -65.57 -25.32 67.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 62.130000000000003 109.287 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.563 HG23 ' CE1' ' A' ' 92' ' ' PHE . 6.1 mt -90.4 -37.95 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 109.332 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 94.8 mt -40.41 -48.59 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 65.549999999999997 109.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.454 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -68.03 -55.62 11.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.127 . . . . 74.329999999999998 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 112' ' ' ILE . 22.6 mt -50.61 -21.74 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 72.420000000000002 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 462' ' ' ILE . . . -86.04 -66.89 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 74.299999999999997 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.472 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 24.6 mttt -57.7 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 71.230000000000004 109.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.559 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 61.8 t -39.2 -38.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 75.310000000000002 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 10.1 t -71.66 -48.51 47.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 75.109999999999999 110.023 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.3 OUTLIER -57.13 -36.02 70.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 75.549999999999997 110.279 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.486 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 8.4 mtm -51.12 -22.42 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 74.530000000000001 111.015 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 13.4 t80 -89.1 -25.43 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 65.420000000000002 110.979 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 5.8 t -91.62 -2.8 56.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 110.01 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 10.8 p -107.65 -48.66 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 474' ' ' VAL . 0.1 OUTLIER -40.2 -33.58 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 65.140000000000001 109.271 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.409999999999997 110.283 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.2 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.408 -0.219 . . . . 72.230000000000004 110.408 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -41.07 -33.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 73.109999999999999 110.312 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -69.95 -48.74 57.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.340000000000003 110.253 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' THR . 9.5 mm100 -53.58 -34.16 57.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 73.340000000000003 110.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.635 ' CG2' ' CZ ' ' A' ' 65' ' ' PHE . 1.6 mm -65.59 -29.98 48.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 75.019999999999996 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.65 -12.37 61.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 64.540000000000006 109.337 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -79.16 -62.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 73.5 110.306 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -52.23 -20.14 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 110.949 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 2.6 mttt -52.8 -21.35 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 74.049999999999997 109.273 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.98 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 74.25 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -57.83 -17.44 16.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 72.549999999999997 109.275 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.605 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 8.4 t80 -78.2 -40.83 36.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 72.299999999999997 110.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.62 68.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 72.510000000000005 109.261 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.476 ' CD2' ' HG3' ' A' ' 461' ' ' LYS . 72.9 mt -41.28 -41.65 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 70.140000000000001 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 18.2 m-85 -104.42 -54.7 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 74.310000000000002 110.998 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.605 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.75 92.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 64.230000000000004 109.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' PHE . 44.1 mmtt -72.39 -67.34 0.56 Allowed 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.643 1.687 . . . . 70.439999999999998 109.318 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 22' ' ' ASP . 2.9 p30 -72.98 -6.45 45.45 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 117.908 -1.044 . . . . 73.030000000000001 109.949 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.1 m120 49.44 65.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 64.319999999999993 109.306 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -98.54 -25.62 14.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 73.5 109.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.4 30.61 2.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 74.030000000000001 110.979 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.9 p -168.92 111.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.776 . . . . 75.329999999999998 109.989 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.547 HD13 ' CE1' ' A' ' 16' ' ' PHE . 45.3 mt -87.86 107.46 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 74.510000000000005 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 p -71.15 157.62 37.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 74.299999999999997 109.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.411 ' CB ' HG11 ' A' ' 48' ' ' VAL . 1.3 t -60.62 -26.63 67.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 44.420000000000002 109.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -71.34 -25.33 62.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 72.049999999999997 109.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.502 ' O ' ' CG2' ' A' ' 34' ' ' THR . 45.7 mt-10 -90.73 -46.42 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 72.409999999999997 110.315 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -55.64 -50.18 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 75.420000000000002 109.3 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 37' ' ' ARG . . . -64.56 -12.61 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 75.430000000000007 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -74.96 -32.66 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 71.150000000000006 110.425 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -88.8 -60.91 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 73.430000000000007 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.1 mtp -40.97 -47.26 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.450000000000003 111.013 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 9.2 ptm180 -70.13 -35.21 73.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 110.282 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' VAL . 5.0 m -62.49 -22.25 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 74.120000000000005 109.976 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.502 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 10.4 mt -80.34 -18.3 49.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.049999999999997 109.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.93 2.34 8.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 71.430000000000007 111.027 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.0 mt -87.3 -173.96 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 64.319999999999993 109.301 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.453 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 48.1 t -164.98 61.94 0.85 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 74.340000000000003 109.969 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 124.37 8.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 72.200000000000003 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' GLU . 68.4 m -69.53 140.62 53.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 74.530000000000001 110.013 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -42.84 -28.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 75.040000000000006 110.309 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.79 -47.78 76.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 75.329999999999998 109.285 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' SER . 1.2 mt-10 -76.15 -49.75 16.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 75.109999999999999 110.358 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.465 HG12 ' CD2' ' A' ' 32' ' ' LEU . 53.4 t -40.93 -42.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 71.129999999999995 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ASN . 90.9 m-20 -62.64 -63.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 73.129999999999995 109.26 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -18.07 4.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 52.439999999999998 109.34 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -78.75 -52.85 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 75.549999999999997 109.249 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.475 ' HB2' ' CD1' ' A' ' 63' ' ' ILE . 10.3 ptm -80.97 -8.79 59.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 70.040000000000006 110.976 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.5 m-80 -86.09 -10.13 55.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 71.010000000000005 109.272 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -85.61 -10.17 56.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 73.519999999999996 110.283 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.7 mm -117.91 -42.77 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 75.140000000000001 109.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.493 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 5.9 t0 -39.44 116.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.519999999999996 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.58 -7.84 9.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 CA-C-O 123.595 1.664 . . . . 75.140000000000001 109.292 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 32.3 p-10 -115.41 -10.25 12.01 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.899 -1.048 . . . . 71.439999999999998 109.969 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 58.84 39.28 93.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 64.010000000000005 111.033 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.493 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.3 p-10 -96.28 25.26 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 74.549999999999997 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.67 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 41.3 t60 47.36 40.85 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 71.510000000000005 109.649 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.522 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 59.4 mt-30 -160.29 176.29 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 71.239999999999995 110.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -123.42 127.09 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 75.230000000000004 109.297 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.89 173.72 6.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 75.109999999999999 110.291 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.635 ' CZ ' ' CG2' ' A' ' 9' ' ' ILE . 4.0 t80 -74.16 -10.74 59.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 74.439999999999998 110.983 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 2.2 p -92.52 -32.85 14.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 75.519999999999996 110.025 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.51 -53.56 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 72.129999999999995 110.313 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.408 ' CD2' ' HD1' ' A' ' 16' ' ' PHE . 87.7 t80 -54.03 -49.8 68.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 75.040000000000006 111.005 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.35 -23.62 67.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 73.120000000000005 109.296 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.574 ' N ' ' CD1' ' A' ' 69' ' ' LEU . . . -86.08 -15.59 40.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 60.299999999999997 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.475 ' CD2' ' HE3' ' A' ' 471' ' ' MET . 9.2 tp -73.61 -48.55 31.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 64.530000000000001 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.476 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -56.27 -36.33 68.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 62.039999999999999 110.997 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.0 p -90.58 22.22 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 70.299999999999997 110.013 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 73.019999999999996 110.284 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.545 ' CD2' ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.327 -0.62 . . . . 73.430000000000007 109.327 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' O ' ' HD2' ' A' ' 90' ' ' LYS . 1.8 pp -47.25 -38.3 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 74.019999999999996 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 5.6 mm-40 -66.75 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 74.129999999999995 110.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB1' ' CB ' ' A' ' 466' ' ' ALA . . . -63.4 -11.86 26.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 72.209999999999994 109.302 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.526 ' CG ' HD11 ' A' ' 137' ' ' ILE . 36.3 t80 -85.4 -55.98 3.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 75.030000000000001 111.003 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' HD2' ' O ' ' A' ' 86' ' ' LEU . 2.0 ptmm? -66.89 -35.8 80.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 74.099999999999994 109.336 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 1.3 p -59.52 -48.46 87.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.230000000000004 109.293 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.646 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.0 m-85 -68.78 -42.28 77.61 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.64 1.686 . . . . 75.219999999999999 111.004 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -73.08 100.03 2.92 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.876 -1.059 . . . . 63.119999999999997 110.012 179.693 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -31.16 19.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 70.450000000000003 109.29 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.5 -50.85 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 71.319999999999993 109.267 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.452 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 90.77 68.09 1.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 73.430000000000007 111.01 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -124.79 -0.3 8.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 73.140000000000001 109.292 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.511 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 84.89 13.69 71.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 71.409999999999997 110.99 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 0.9 OUTLIER -149.6 113.9 5.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 74.340000000000003 109.304 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.417 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 68.9 mt -73.2 99.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 75.310000000000002 109.24 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.4 p -63.9 168.8 4.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 62.100000000000001 110.016 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -43.62 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.483 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -42.28 -65.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 73.299999999999997 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -38.95 -28.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 73.319999999999993 110.279 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 135' ' ' ILE . 0.2 OUTLIER -91.55 -72.93 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 73.420000000000002 109.316 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.483 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -45.58 -60.41 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 73.340000000000003 109.319 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.544 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.75 -41.43 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 75.400000000000006 109.596 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.646 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -67.99 -57.35 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 75.099999999999994 109.305 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 114' ' ' GLU . 3.5 mt -53.7 -23.35 11.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 71.340000000000003 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.2 m -83.89 -25.96 29.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 71.129999999999995 110.392 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.53 -9.03 46.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 75.329999999999998 110.017 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.472 ' CD1' HD21 ' A' ' 18' ' ' LEU . 12.9 pt -112.18 -32.03 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 74.340000000000003 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.71 -33.72 0.97 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.137 . . . . 52.310000000000002 111.035 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 109' ' ' LEU . 4.0 mm-40 -65.29 106.02 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 71.120000000000005 110.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.92 98.9 8.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 73.120000000000005 109.249 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -96.97 127.13 42.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 71.239999999999995 109.265 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.4 p -65.44 158.03 27.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.25 110.409 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -55.31 -22.27 18.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 65.530000000000001 109.285 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.78 -22.89 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 60.109999999999999 109.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 8.3 mm-40 -82.25 -62.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 74.030000000000001 110.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 4.1 p -52.12 -50.95 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 74.140000000000001 109.296 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.477 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 2.3 t70 -47.08 -25.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 71.430000000000007 109.303 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 121' ' ' VAL . 28.2 t70 -91.54 -35.5 14.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 71.530000000000001 109.334 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 121' ' ' VAL . 23.5 ttm -61.39 -33.66 74.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 74.349999999999994 111.016 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 129' ' ' SER . 5.1 mt -67.24 -55.9 12.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 75.010000000000005 109.261 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 125' ' ' LEU . 36.0 mtt-85 -37.87 -29.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 73.120000000000005 110.31 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 88.3 mt-10 -48.91 -50.64 34.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 74.299999999999997 110.292 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.489 ' CG1' ' HB2' ' A' ' 142' ' ' ALA . 34.5 m -131.35 16.92 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 73.109999999999999 109.335 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.5 p -104.26 7.81 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 55.130000000000003 110.015 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' SER . 21.8 t70 39.21 46.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 71.120000000000005 109.328 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.06 47.52 72.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 53.200000000000003 111.001 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 129' ' ' SER . 28.9 t -106.73 -77.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 65.120000000000005 109.993 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 150.06 -17.27 1.05 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 60.240000000000002 111.042 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.421 ' HB3' ' CB ' ' A' ' 99' ' ' LEU . 21.1 mt-10 -136.02 159.43 41.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 74.530000000000001 110.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.554 ' CD1' ' CD1' ' A' ' 105' ' ' LEU . 6.2 pt -131.32 129.57 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 73.230000000000004 109.294 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.431 ' OD1' ' CD2' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.4 -174.01 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 71.310000000000002 109.32 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.526 HD11 ' CG ' ' A' ' 89' ' ' PHE . 11.1 tp -59.23 -15.5 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 72.310000000000002 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -90.3 -51.12 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 63.039999999999999 110.284 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 28.6 mt-30 -70.03 -56.34 7.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.209999999999994 110.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' A' ' 136' ' ' ASN . 12.8 t80 -43.55 -48.02 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 73.349999999999994 110.993 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.545 ' CB ' ' CD2' ' A' ' 85' ' ' LEU . . . -55.47 -35.69 65.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 71.430000000000007 109.264 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 139' ' ' GLN . . . -46.42 -35.87 5.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 62.5 109.297 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.6 -42.12 71.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 75.25 109.317 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 141' ' ' ALA . 8.0 mt -79.04 1.51 23.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 75.299999999999997 109.291 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.010000000000005 109.949 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.275 -0.268 . . . . 75.109999999999999 110.275 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.508 ' NZ ' HD21 ' A' ' 460' ' ' ASN . 0.0 OUTLIER -58.98 -24.98 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 65.549999999999997 109.352 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -83.54 -18.24 39.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 63.310000000000002 109.261 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -48.71 75.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 72.099999999999994 109.297 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 1.3 ptp85 -76.29 -35.95 58.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 110.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' ASN . . . . . 0.508 HD21 ' NZ ' ' A' ' 456' ' ' LYS . 2.4 t30 -58.84 -31.23 68.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 64.299999999999997 109.331 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' LYS . . . . . 0.476 ' HG3' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -63.31 -29.17 70.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.340000000000003 109.25 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.559 HG22 ' CE1' ' A' ' 92' ' ' PHE . 13.6 mt -89.45 -33.12 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 74.129999999999995 109.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.46 ' CD1' ' OD1' ' A' ' 460' ' ' ASN . 61.0 mt -47.2 -50.23 21.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 75.019999999999996 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' ALA . . . . . 0.506 ' O ' ' CG2' ' A' ' 468' ' ' VAL . . . -65.72 -59.03 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 71.409999999999997 109.305 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 112' ' ' ILE . 49.6 mt -42.01 -28.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 65.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . 0.455 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . . . -81.86 -72.43 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 74.349999999999994 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 469' ' ' SER . 1.2 mtmm -44.55 -64.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.230000000000004 109.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 464' ' ' ALA . 12.4 m -38.52 -31.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 467' ' ' LYS . 5.5 t -82.76 -67.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 75.310000000000002 110.024 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.497 ' HD3' ' CG2' ' A' ' 474' ' ' VAL . 1.3 tmt_? -38.63 -30.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.120000000000005 110.272 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' MET . . . . . 0.475 ' HE3' ' CD2' ' A' ' 71' ' ' LEU . 5.5 mtp -56.97 -48.7 77.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 74.439999999999998 111.004 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 4.6 t80 -49.47 -30.3 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.329999999999998 111.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 4.2 m -79.1 -27.99 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 54.229999999999997 110.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' VAL . . . . . 0.497 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 60.7 t -78.23 -56.43 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 73.109999999999999 109.294 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.441 ' CD2' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -39.56 -38.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 73.120000000000005 109.3 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 65.230000000000004 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.968 -0.853 . . . . 53.310000000000002 110.968 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 45.61 37.79 3.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 75.340000000000003 110.067 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.6 142.77 46.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 62.43 109.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -134.32 64.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 75.209999999999994 109.307 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.58 HD11 ' CE2' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -114.55 153.83 29.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 71.540000000000006 109.268 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p -98.27 164.64 12.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 73.219999999999999 110.432 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -46.68 -38.95 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 75.439999999999998 110.303 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -68.07 -36.48 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 71.099999999999994 110.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 4' ' ' LEU . 18.9 mm100 -64.55 -31.17 72.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 74.299999999999997 110.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.11 -20.67 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 73.409999999999997 109.286 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.39 -12.39 54.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 109.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -76.86 -67.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 73.340000000000003 110.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 4' ' ' LEU . 38.7 m-85 -44.49 -25.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 73.209999999999994 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.587 ' CG ' ' CE1' ' A' ' 65' ' ' PHE . 23.5 mttt -53.57 -45.97 70.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 75.319999999999993 109.321 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 461' ' ' LYS . 26.3 mm-40 -63.78 -44.33 93.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 72.209999999999994 110.252 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.495 ' O ' ' CZ ' ' A' ' 68' ' ' PHE . . . -65.96 -15.27 62.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 74.25 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.609 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.2 t80 -81.93 -44.81 16.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 110.95 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.57 -27.34 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.239999999999995 109.28 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 93.5 mt -40.33 -40.53 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 74.040000000000006 109.29 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.541 ' CE2' ' HB ' ' A' ' 35' ' ' VAL . 5.2 m-85 -113.14 -53.47 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.41 1.069 . . . . 63.329999999999998 110.967 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.609 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -51.88 95.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 75.25 109.329 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 19' ' ' PHE . 5.1 mmtp -75.87 -67.06 0.71 Allowed 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.642 1.687 . . . . 74.239999999999995 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -69.38 -7.33 36.52 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 117.931 -1.033 . . . . 72.150000000000006 109.973 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 49.66 62.73 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 73.340000000000003 109.307 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 24.1 p-10 -97.17 -27.5 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 74.319999999999993 109.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 112.77 33.5 2.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 73.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.79 112.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 74.040000000000006 110.024 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.558 HD12 ' CE1' ' A' ' 16' ' ' PHE . 95.8 mt -92.0 102.64 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 71.310000000000002 109.277 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 p -66.87 175.11 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 61.340000000000003 110.02 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' HG11 ' A' ' 48' ' ' VAL . 1.5 t -72.2 -28.89 63.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 109.969 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -26.13 60.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 70.310000000000002 109.987 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.509 ' O ' ' CG2' ' A' ' 34' ' ' THR . 34.5 mt-10 -90.71 -38.04 13.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 74.140000000000001 110.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -65.28 -52.63 52.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 75.329999999999998 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.427 ' N ' ' CD2' ' A' ' 32' ' ' LEU . . . -66.01 -12.13 52.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 64.519999999999996 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -69.65 -30.37 68.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 73.409999999999997 110.41 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.541 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -82.84 -64.58 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 75.120000000000005 109.269 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.52 ' HE2' ' CG ' ' A' ' 472' ' ' PHE . 74.2 mtp -40.43 -53.41 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 64.310000000000002 111.015 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -62.07 -34.34 76.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.085 . . . . 75.519999999999996 110.32 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -66.51 -26.99 67.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 63.539999999999999 109.999 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.483 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 17.2 mt -79.16 -19.74 50.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 63.229999999999997 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.14 2.46 8.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 63.140000000000001 111.014 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD1' ' HE3' ' A' ' 36' ' ' MET . 17.6 mt -81.38 -174.62 5.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 0.719 . . . . 74.430000000000007 109.278 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 52.9 p -163.84 61.36 0.95 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 71.329999999999998 110.027 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.55 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.98 136.46 20.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 71.099999999999994 111.006 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -76.29 140.33 41.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 71.129999999999995 110.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 19.6 tt0 -51.67 -27.92 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 62.43 110.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.69 -49.62 75.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 73.510000000000005 109.299 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 49' ' ' ASN . 1.6 mt-10 -74.76 -51.29 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 74.409999999999997 110.293 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 43' ' ' PRO . 54.5 t -40.28 -32.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 73.450000000000003 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 91.9 m-20 -72.4 -63.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 65.319999999999993 109.324 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 23.6 t0 -52.38 -21.03 3.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 72.439999999999998 109.284 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.477 ' HB2' ' CD2' ' A' ' 475' ' ' LEU . 5.3 tt -80.3 -62.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 72.299999999999997 109.309 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.0 ptm -63.2 -14.24 46.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 75.219999999999999 111.01 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -93.99 -9.96 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 72.040000000000006 109.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 14.7 mt-10 -81.88 -12.69 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 65.239999999999995 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 56' ' ' ASP . 1.8 mm -116.36 -41.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 75.400000000000006 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 3.3 t0 -39.0 120.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 74.420000000000002 109.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.1 t -81.83 -17.25 11.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 123.608 1.67 . . . . 75.019999999999996 109.271 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.3 p-10 -116.11 -7.91 11.84 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.885 -1.055 . . . . 74.099999999999994 109.976 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.37 41.44 93.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 62.299999999999997 111.017 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.435 ' ND2' ' HB2' ' A' ' 62' ' ' GLN . 29.7 p-10 -89.08 16.13 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 73.329999999999998 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.652 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 43.4 t60 61.65 29.67 18.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 75.150000000000006 109.597 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 44.0 mt-30 -155.56 149.56 25.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 71.319999999999993 110.324 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.61 129.1 54.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 71.5 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.522 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -91.97 179.35 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 64.030000000000001 110.27 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.5 t80 -76.28 -12.44 60.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 75.430000000000007 110.978 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.6 t -94.97 -41.47 9.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 73.400000000000006 110.0 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.67 -50.47 50.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 74.340000000000003 110.322 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.495 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 88.6 t80 -56.95 -39.86 75.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 75.209999999999994 110.956 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -70.41 -34.04 72.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 75.129999999999995 109.322 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -75.85 -15.88 60.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 72.109999999999999 109.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.467 HD12 ' CG ' ' A' ' 75' ' ' GLN . 20.6 tp -74.02 -46.71 41.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 70.420000000000002 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.477 ' HA ' ' CE ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -57.42 -29.24 63.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 75.099999999999994 110.998 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 p -106.09 18.78 21.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 73.129999999999995 110.047 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 1.9 tmt_? -142.43 14.65 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 71.420000000000002 110.281 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.467 ' CG ' HD12 ' A' ' 71' ' ' LEU . 1.4 mm100 -108.69 -75.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 72.310000000000002 110.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.555 ' HB3' ' CB ' ' A' ' 80' ' ' ASP . 0.7 OUTLIER -53.73 179.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 74.239999999999995 109.31 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -147.65 -84.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 74.400000000000006 109.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.48 -87.76 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 109.953 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.46 57.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 71.329999999999998 109.299 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.555 ' CB ' ' HB3' ' A' ' 76' ' ' LEU . 1.2 m-20 -52.12 -69.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -38.62 -66.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 75.409999999999997 110.043 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -39.89 -54.01 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 73.540000000000006 110.285 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -52.59 -61.29 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 62.509999999999998 110.264 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -63.34 -11.87 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 72.310000000000002 110.356 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -80.27 -68.11 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 75.040000000000006 109.308 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 pp -46.67 -39.0 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 75.010000000000005 109.336 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.508 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 6.6 mm-40 -67.27 -58.34 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 75.420000000000002 110.292 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.453 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -65.26 -12.1 48.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.540000000000006 109.251 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 85' ' ' LEU . 38.9 t80 -84.49 -55.85 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 62.420000000000002 110.983 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -75.31 -2.77 29.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 72.519999999999996 109.267 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 12.6 t -94.05 -42.76 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.030000000000001 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.608 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.2 m-85 -77.2 -42.93 35.56 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.592 1.663 . . . . 64.209999999999994 111.003 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.36 97.21 0.94 Allowed 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 117.901 -1.047 . . . . 72.019999999999996 110.003 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.37 -29.09 21.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 74.049999999999997 109.293 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.468 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -78.06 -44.8 25.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.310000000000002 109.321 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.87 77.13 1.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 72.239999999999995 111.011 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.15 9.6 2.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 74.109999999999999 109.282 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 70.03 18.19 74.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 73.239999999999995 111.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.4 mt -149.96 112.54 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 74.209999999999994 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.447 ' CG2' HD23 ' A' ' 105' ' ' LEU . 54.7 mt -77.07 102.74 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 74.209999999999994 109.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 t -69.64 179.38 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 55.439999999999998 109.952 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -51.74 -66.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 61.329999999999998 109.278 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -41.31 -66.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -39.28 -29.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 71.5 110.284 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -88.3 -71.9 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 74.049999999999997 109.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -48.36 -61.19 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 73.420000000000002 109.267 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.56 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -41.8 -40.73 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.510000000000005 109.61 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.608 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -69.16 -44.07 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 73.549999999999997 109.322 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 106' ' ' LYS . 2.0 mm? -64.85 -23.08 67.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 73.150000000000006 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 m -86.54 -15.27 40.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 74.140000000000001 110.37 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.483 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -78.66 -10.24 59.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.140000000000001 110.007 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.483 ' CD1' ' HG2' ' A' ' 461' ' ' LYS . 4.3 pt -110.87 -26.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 74.540000000000006 109.262 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.99 -30.01 2.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 74.530000000000001 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' LEU . 18.3 mm-40 -65.5 115.19 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 71.010000000000005 110.258 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -111.94 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 72.299999999999997 109.342 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.468 ' CD2' ' HE2' ' A' ' 124' ' ' MET . 4.4 mp -92.86 141.93 27.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 74.5 109.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLU . 82.6 p -70.8 151.14 45.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 73.349999999999994 110.395 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -48.15 -24.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 73.099999999999994 109.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.98 -41.24 23.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.209999999999994 109.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.436 ' HB3' ' CD2' ' A' ' 116' ' ' LEU . 35.2 mm-40 -62.84 -42.85 99.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 74.049999999999997 110.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 6.4 p -69.23 -52.38 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 74.519999999999996 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.482 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 11.2 t70 -55.57 -22.09 20.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 73.430000000000007 109.235 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.27 -36.8 13.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 72.239999999999995 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.468 ' HE2' ' CD2' ' A' ' 116' ' ' LEU . 25.4 ttm -60.9 -33.45 73.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 74.019999999999996 110.976 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 129' ' ' SER . 7.6 mt -65.63 -52.31 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 62.329999999999998 109.342 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 125' ' ' LEU . 40.9 mtt180 -37.16 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 74.120000000000005 110.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 125' ' ' LEU . 13.1 mm-40 -46.26 -50.6 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 72.400000000000006 110.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 142' ' ' ALA . 23.1 m -129.91 13.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.040000000000006 109.339 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.0 p -103.1 2.93 35.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 61.109999999999999 109.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 129' ' ' SER . 38.9 t0 38.24 47.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 73.140000000000001 109.291 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.96 48.2 74.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 73.420000000000002 110.977 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 129' ' ' SER . 40.6 t -100.91 -77.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 75.420000000000002 109.949 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 154.85 -20.2 0.58 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.463 1.102 . . . . 73.109999999999999 110.985 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.2 mt-10 -143.09 165.06 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 73.140000000000001 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 9.4 pt -130.3 126.46 61.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 73.299999999999997 109.291 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -93.52 -177.69 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 109.248 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.482 HD12 ' CG ' ' A' ' 89' ' ' PHE . 5.2 tp -54.82 -18.6 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 75.120000000000005 109.322 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -87.3 -57.56 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 75.439999999999998 110.292 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 142' ' ' ALA . 24.7 mt-30 -65.45 -54.6 26.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 61.140000000000001 110.269 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.44 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 26.0 t80 -47.99 -34.07 8.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 75.120000000000005 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.482 ' CB ' ' HG ' ' A' ' 85' ' ' LEU . . . -76.79 -28.97 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 74.010000000000005 109.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.491 ' HB3' ' CG1' ' A' ' 128' ' ' VAL . . . -60.83 -15.17 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 73.120000000000005 109.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.461 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 1.2 mt -79.72 -65.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 55.5 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.423 HD12 ' CD2' ' A' ' 85' ' ' LEU . 4.8 mt -50.82 -21.76 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 65.340000000000003 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.6 t -116.6 38.44 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 74.329999999999998 109.992 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.513 ' NZ ' ' HG ' ' A' ' 148' ' ' SER . 4.4 tptp -84.92 -80.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 71.430000000000007 109.26 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 50.31 21.25 4.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 74.230000000000004 111.016 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.513 ' HG ' ' NZ ' ' A' ' 146' ' ' LYS . 85.7 p -90.7 -82.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 73.239999999999995 110.007 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.43 60.81 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 74.340000000000003 109.983 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.495 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 30.5 p -112.18 -66.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 74.040000000000006 110.392 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.456 ' N ' ' OG1' ' A' ' 150' ' ' THR . . . 68.41 44.79 72.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 42.43 111.022 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.526 ' O ' ' CG2' ' A' ' 453' ' ' THR . 2.1 m 64.12 45.91 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 63.210000000000001 110.405 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 12.4 mmm-85 -144.32 -56.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 75.319999999999993 110.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.495 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 27.4 mmt180 -72.05 -35.2 69.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 74.430000000000007 110.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.427 ' CD ' ' HA ' ' A' ' 453' ' ' THR . 0.0 OUTLIER -50.7 -24.89 3.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 74.400000000000006 109.368 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.95 -26.84 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 73.530000000000001 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 455' ' ' ARG . 0.9 OUTLIER -67.19 -43.57 81.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 74.129999999999995 109.294 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 459' ' ' ARG . 5.6 ptp180 -80.65 -24.96 38.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 72.349999999999994 110.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.435 ' HA ' ' CD2' ' A' ' 463' ' ' LEU . 15.7 t30 -59.43 -29.74 67.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 73.510000000000005 109.328 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.483 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -58.21 -26.9 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 73.549999999999997 109.279 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 92' ' ' PHE . 14.8 mt -87.14 -32.08 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 73.540000000000006 109.285 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 460' ' ' ASN . 0.6 OUTLIER -51.79 -44.33 63.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 72.310000000000002 109.293 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.47 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -75.01 -59.6 2.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.329999999999998 109.282 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.478 HG21 ' CD1' ' A' ' 39' ' ' LEU . 13.1 mt -41.17 -30.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 65.439999999999998 109.321 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -86.93 -67.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 70.409999999999997 109.266 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.477 ' CE ' ' HA ' ' A' ' 72' ' ' MET . 29.4 mtpt -48.12 -62.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 74.099999999999994 109.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 464' ' ' ALA . 51.9 t -47.14 -44.75 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 73.230000000000004 109.29 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 24.7 t -67.24 -27.66 67.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 71.329999999999998 110.001 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.2 OUTLIER -81.65 -25.1 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.549999999999997 110.316 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.462 ' HE2' ' CD2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -61.95 -26.21 68.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 111.01 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 31.8 t80 -75.43 -21.76 57.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 73.310000000000002 111.008 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -89.02 -11.11 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.140000000000001 110.012 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 48.8 t -101.45 -49.27 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -38.37 -37.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.150000000000006 109.309 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 75.109999999999999 110.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.988 -0.845 . . . . 61.539999999999999 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.0 m -105.75 140.99 37.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 73.239999999999995 109.991 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -56.07 111.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 63.439999999999998 109.989 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -89.67 14.59 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 74.400000000000006 109.339 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 4' ' ' LEU . 5.1 mt -87.26 174.42 8.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 70.129999999999995 109.31 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 p -125.0 167.75 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 74.510000000000005 110.392 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.32 -25.62 59.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 75.140000000000001 110.273 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -79.77 -21.91 43.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 72.420000000000002 110.344 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 11.5 mm100 -81.97 -29.22 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 65.120000000000005 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.491 HG21 ' CZ ' ' A' ' 65' ' ' PHE . 3.4 mm -65.74 -30.9 51.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 109.303 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.52 -12.38 61.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 51.520000000000003 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 12.2 mm-40 -75.71 -68.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 74.510000000000005 110.293 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.479 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 45.6 m-85 -47.21 -23.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 75.040000000000006 111.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 1.1 mttt -52.44 -42.0 63.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 74.530000000000001 109.319 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.65 -59.63 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 74.150000000000006 110.303 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -51.97 -23.61 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 74.329999999999998 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 1.7 t80 -74.51 -39.62 62.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 73.340000000000003 110.97 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.67 -18.04 51.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 75.530000000000001 109.33 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.494 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 40.3 mt -56.33 -43.76 79.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 74.430000000000007 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.532 ' CZ ' HG12 ' A' ' 468' ' ' VAL . 17.9 m-85 -104.79 -47.59 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 74.319999999999993 110.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.601 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -60.08 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 62.329999999999998 109.267 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' PHE . 41.7 mmtt -61.08 -67.26 0.42 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.629 1.681 . . . . 75.540000000000006 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.87 -13.7 60.27 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.896 -1.049 . . . . 73.030000000000001 109.992 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 59.24 58.73 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 72.430000000000007 109.285 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.5 p30 -91.92 -22.89 19.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 65.5 109.321 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.21 32.74 2.93 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 65.519999999999996 110.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 p -168.76 112.08 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.757 . . . . 73.450000000000003 109.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.552 HD12 ' CE1' ' A' ' 16' ' ' PHE . 43.7 mt -92.27 101.56 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 74.450000000000003 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -67.81 163.25 22.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 71.420000000000002 110.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.463 ' CB ' HG11 ' A' ' 48' ' ' VAL . 1.5 t -59.1 -18.07 32.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.340000000000003 109.958 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.34 -20.85 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 62.200000000000003 109.989 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 34' ' ' THR . 44.1 mt-10 -90.56 -35.98 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 75.140000000000001 110.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' CD2' HG12 ' A' ' 48' ' ' VAL . 2.9 tt -68.51 -46.79 68.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 74.299999999999997 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.87 -12.43 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 62.030000000000001 109.281 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -69.68 -24.49 63.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 72.409999999999997 110.382 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.0 t -91.36 -59.46 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 64.129999999999995 109.267 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.45 ' HE2' ' CG ' ' A' ' 472' ' ' PHE . 85.3 mtp -42.79 -57.37 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 72.109999999999999 111.015 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -57.37 -26.76 61.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 75.019999999999996 110.326 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' VAL . 1.4 t -76.35 -29.19 57.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 74.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 15.0 mt -76.97 -20.73 55.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 109.31 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.09 2.71 8.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 65.230000000000004 111.009 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.9 mt -80.43 -177.16 6.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 73.019999999999996 109.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 92.0 p -162.57 60.39 1.03 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 63.329999999999998 110.018 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.99 154.82 42.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 74.230000000000004 111.0 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -94.97 139.89 30.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 72.430000000000007 110.025 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.5 tt0 -46.3 -27.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 75.129999999999995 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.94 -47.54 74.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 72.239999999999995 109.309 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -75.1 -51.86 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 73.329999999999998 110.319 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.463 HG11 ' CB ' ' A' ' 29' ' ' SER . 52.5 t -39.96 -30.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 109.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' ASN . 89.7 m-20 -77.88 -63.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 72.140000000000001 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -48.07 -23.15 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 73.329999999999998 109.277 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.4 tm? -76.38 -59.42 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 71.319999999999993 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.442 ' HB2' ' CD1' ' A' ' 63' ' ' ILE . 9.4 ptm -74.33 -4.11 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 61.329999999999998 111.022 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.6 m-80 -90.15 -8.15 51.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 62.310000000000002 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.65 -6.02 41.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 71.310000000000002 110.33 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.46 HD11 ' CD1' ' A' ' 71' ' ' LEU . 2.0 mm -117.65 -41.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 72.329999999999998 109.314 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 2.9 t0 -39.21 119.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 74.209999999999994 109.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 64.6 t -91.7 -13.22 8.95 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 CA-C-O 123.632 1.682 . . . . 75.200000000000003 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.1 p30 -117.46 -6.89 11.19 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.909 -1.043 . . . . 73.420000000000002 110.009 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.27 42.46 88.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 72.430000000000007 111.004 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.418 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 35.0 p-10 -93.84 12.97 24.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 75.120000000000005 109.309 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.658 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 31.3 t60 64.79 28.25 12.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 109.576 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.435 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 41.8 mt-30 -152.13 174.69 13.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 64.430000000000007 110.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -122.8 128.83 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -93.46 172.99 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 73.409999999999997 110.288 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.569 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 3.3 t80 -74.05 -12.37 60.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 110.98 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.4 t -90.6 -45.63 8.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.209999999999994 109.993 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 11.6 mt-10 -69.36 -52.16 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 74.120000000000005 110.278 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.4 ' O ' ' HB3' ' A' ' 71' ' ' LEU . 87.8 t80 -52.83 -44.38 66.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.439999999999998 111.011 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.79 -34.29 75.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 74.420000000000002 109.255 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.37 62.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 71.209999999999994 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 55' ' ' ILE . 6.0 tp -62.7 -52.97 61.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 70.340000000000003 109.316 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -59.81 -13.34 10.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 74.549999999999997 110.975 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.3 t -126.46 29.42 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 65.219999999999999 110.003 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -135.59 -63.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.120000000000005 110.318 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -75.14 61.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 72.420000000000002 110.263 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.507 ' HB2' ' CB ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -158.0 135.21 10.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 72.540000000000006 109.288 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -130.57 -86.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 72.310000000000002 109.279 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.5 m -114.03 -74.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 72.299999999999997 110.003 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -80.78 53.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 72.329999999999998 109.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.507 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -85.8 -80.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 72.439999999999998 109.311 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' ASP . 8.4 t -37.74 -55.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 71.310000000000002 109.995 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -40.99 -44.87 2.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 73.299999999999997 110.272 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 80' ' ' ASP . 2.8 tp60 -56.7 -64.06 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 65.310000000000002 110.305 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 7.1 pt-20 -61.69 -13.25 21.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 54.509999999999998 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD1' ' CB ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -78.33 -61.53 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 73.349999999999994 109.242 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -58.58 -35.8 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 60.219999999999999 109.291 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.416 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 5.5 mm-40 -70.23 -56.58 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 65.120000000000005 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.482 ' HA ' ' CG1' ' A' ' 91' ' ' VAL . . . -63.0 -15.46 56.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 73.349999999999994 109.255 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 26.5 t80 -81.99 -42.61 19.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 70.109999999999999 110.96 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -82.35 -23.24 35.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 74.340000000000003 109.309 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -74.19 -44.08 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.430000000000007 109.301 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 1.7 m-85 -67.93 -38.64 83.12 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.609 1.671 . . . . 74.409999999999997 110.977 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.76 103.83 3.78 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.896 -1.049 . . . . 64.099999999999994 109.972 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 -34.64 19.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 74.219999999999999 109.318 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.25 -45.98 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 109.269 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.24 78.64 1.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 72.239999999999995 111.007 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.58 11.53 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 75.200000000000003 109.265 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.498 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 70.44 18.41 75.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 111.007 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.5 mt -150.02 110.84 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 74.209999999999994 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.434 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 53.5 mt -74.95 102.98 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 74.230000000000004 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.0 t -68.07 175.99 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 64.349999999999994 109.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -48.45 -69.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 74.109999999999999 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.47 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -42.57 -64.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 74.299999999999997 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -39.3 -28.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 73.340000000000003 110.302 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.451 ' N ' ' C ' ' A' ' 103' ' ' ALA . 3.3 tp -91.27 -72.4 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 74.439999999999998 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.471 ' HG2' ' CG2' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.9 -61.01 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 74.230000000000004 109.303 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.55 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.67 -42.94 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 63.149999999999999 109.546 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.598 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.2 t -65.85 -42.2 91.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 71.120000000000005 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 106' ' ' LYS . 3.3 mm? -69.65 -20.79 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 72.209999999999994 109.318 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.5 m -84.24 -12.7 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 73.299999999999997 110.385 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.487 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -82.11 -6.92 59.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 74.140000000000001 109.957 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 461' ' ' LYS . 10.3 pt -112.18 -32.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 74.25 109.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.47 -31.44 0.94 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 70.329999999999998 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' HG3' ' CD ' ' A' ' 461' ' ' LYS . 5.1 mm-40 -63.67 104.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 73.230000000000004 110.31 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -102.64 91.9 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.129999999999995 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 60.8 mt -104.57 141.8 35.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 72.200000000000003 109.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.5 p -76.13 -174.61 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 70.439999999999998 110.387 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -76.98 -18.2 58.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 63.240000000000002 109.311 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.72 -37.12 14.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 64.409999999999997 109.324 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -71.24 -31.37 67.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.120000000000005 110.285 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 106' ' ' LYS . 9.0 p -83.87 -52.02 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 74.530000000000001 109.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.464 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 6.8 t70 -52.42 -20.87 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 74.019999999999996 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -90.62 -28.67 18.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 72.140000000000001 109.309 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 121' ' ' VAL . 21.5 ttm -73.87 -32.53 63.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 73.450000000000003 110.985 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 127' ' ' GLU . 8.6 mt -65.02 -53.83 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 74.549999999999997 109.306 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.411 ' HA ' ' OG ' ' A' ' 129' ' ' SER . 19.7 mtt-85 -37.42 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 74.310000000000002 110.323 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 125' ' ' LEU . 74.4 mt-10 -46.36 -50.43 16.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.019999999999996 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.485 ' CB ' ' HB2' ' A' ' 142' ' ' ALA . 24.7 m -132.14 13.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 72.310000000000002 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.2 p -98.76 7.99 45.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 62.439999999999998 110.043 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 32.9 t70 39.57 42.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 72.409999999999997 109.313 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.29 46.6 92.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 72.140000000000001 111.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' SER . 31.8 t -104.27 -76.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 75.530000000000001 109.96 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.85 -16.92 1.08 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 75.099999999999994 111.001 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.448 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 22.6 mt-10 -136.66 160.11 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 63.409999999999997 110.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 143' ' ' LEU . 2.2 pt -127.62 124.27 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 73.030000000000001 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -179.13 5.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 74.219999999999999 109.334 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.541 ' HB ' ' CE2' ' A' ' 89' ' ' PHE . 3.0 tp -54.35 -19.06 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 75.420000000000002 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.46 ' OE1' ' CG2' ' A' ' 137' ' ' ILE . 13.9 mm100 -87.98 -52.1 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 75.420000000000002 110.267 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 23.1 mt-30 -69.36 -57.45 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 74.450000000000003 110.302 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.523 ' CZ ' HD13 ' A' ' 144' ' ' LEU . 38.4 t80 -41.27 -53.67 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 75.200000000000003 111.022 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.473 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . . . -51.14 -37.4 45.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.409999999999997 109.33 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 139' ' ' GLN . . . -45.55 -43.62 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 64.019999999999996 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.474 ' CD1' HD13 ' A' ' 135' ' ' ILE . 1.3 mt -62.71 -44.11 97.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 75.450000000000003 109.362 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.523 HD13 ' CZ ' ' A' ' 140' ' ' PHE . 7.5 mt -86.71 11.3 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 75.25 109.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 141' ' ' ALA . 17.1 m -127.0 -85.06 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 74.010000000000005 109.977 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 142' ' ' ALA . 9.9 tptm -99.22 -77.14 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 72.219999999999999 109.257 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 146' ' ' LYS . . . 100.66 -124.64 8.31 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.117 . . . . 52.210000000000001 111.026 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.1 m -166.93 101.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 73.420000000000002 109.997 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.1 t 65.23 57.67 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 73.310000000000002 109.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 11.7 p -103.85 93.78 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 74.340000000000003 110.399 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.69 -88.22 1.62 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 62.109999999999999 111.02 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 7.0 m -131.58 5.78 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 71.519999999999996 110.421 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -122.05 -52.41 1.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 65.420000000000002 110.278 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.482 ' CZ ' ' OE1' ' A' ' 127' ' ' GLU . 1.1 mmt85 -74.6 -18.5 60.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 73.510000000000005 110.335 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -12.79 59.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.299999999999997 109.316 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -84.45 -16.57 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 71.430000000000007 109.337 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -53.73 26.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 73.450000000000003 109.314 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -59.53 -34.63 72.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 73.409999999999997 110.276 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 463' ' ' LEU . 11.8 t30 -57.65 -46.25 84.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 73.439999999999998 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.468 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 3.1 ttmt -48.24 -32.43 7.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 72.129999999999995 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.5 HG23 ' CE1' ' A' ' 92' ' ' PHE . 17.9 mt -86.46 -33.26 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 74.219999999999999 109.284 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 74.8 mt -48.99 -44.86 41.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 109.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.448 ' HB2' ' CB ' ' A' ' 15' ' ' ALA . . . -73.48 -58.01 3.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 61.329999999999998 109.307 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.465 ' CG2' HD11 ' A' ' 39' ' ' LEU . 13.4 mt -43.15 -30.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 74.019999999999996 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.477 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . . . -86.84 -72.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 72.319999999999993 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.47 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 15.1 mmtt -36.6 -68.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 73.129999999999995 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.532 HG12 ' CZ ' ' A' ' 19' ' ' PHE . 21.1 t -40.0 -44.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 74.25 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 466' ' ' ALA . 8.7 t -66.47 -68.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 74.140000000000001 109.991 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.471 ' HD3' ' CG2' ' A' ' 474' ' ' VAL . 0.2 OUTLIER -36.22 -47.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 73.140000000000001 110.309 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.454 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 27.6 mtp -47.59 -48.07 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 75.200000000000003 111.014 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 43' ' ' PRO . 14.3 t80 -55.54 -28.79 56.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 74.5 111.041 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.3 t -79.84 -19.94 47.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 73.540000000000006 110.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.471 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 59.0 t -87.5 -54.09 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 74.129999999999995 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 474' ' ' VAL . 0.1 OUTLIER -39.57 -31.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 74.200000000000003 109.252 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 74.329999999999998 110.293 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.982 -0.847 . . . . 50.109999999999999 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m -138.6 114.13 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 74.409999999999997 110.024 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -66.59 89.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 73.030000000000001 109.976 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -91.31 16.28 10.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 74.5 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 4' ' ' LEU . 4.7 mt -72.55 156.31 39.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 74.239999999999995 109.311 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.7 p -111.97 159.84 18.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 75.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -42.01 -38.58 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 72.129999999999995 110.268 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.19 -44.86 82.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 73.150000000000006 110.291 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 5' ' ' THR . 18.1 mm100 -57.81 -29.12 64.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 73.329999999999998 110.304 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.1 mm -73.65 -22.96 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.129999999999995 109.291 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.3 -13.02 59.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 64.230000000000004 109.258 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 12.4 mm-40 -75.5 -69.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 74.200000000000003 110.303 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 49.4 m-85 -43.77 -26.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.299999999999997 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -51.96 -47.04 64.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 71.549999999999997 109.286 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.52 -49.12 70.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 64.219999999999999 110.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.456 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -60.06 -17.15 37.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 75.310000000000002 109.306 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 1.8 t80 -79.36 -40.5 30.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 74.329999999999998 111.01 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.98 68.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 70.319999999999993 109.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.47 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 63.2 mt -40.11 -41.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 72.319999999999993 109.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.531 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 6.3 m-85 -110.7 -53.05 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 70.310000000000002 111.045 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -53.31 90.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 73.099999999999994 109.316 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' PHE . 33.3 mmtt -68.3 -67.05 0.49 Allowed 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 123.615 1.674 . . . . 74.340000000000003 109.273 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -74.36 -5.99 45.55 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.88 -1.057 . . . . 64.400000000000006 109.977 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 50.46 55.88 8.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 74.319999999999993 109.332 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.7 p30 -88.11 -22.13 24.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 71.340000000000003 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.82 32.6 3.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 73.230000000000004 111.019 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.6 p -168.83 112.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 74.140000000000001 110.022 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 74.4 mt -91.12 101.83 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 74.519999999999996 109.323 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 p -64.02 165.14 9.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 74.030000000000001 110.014 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' HG11 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -64.93 -16.17 62.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 71.120000000000005 109.95 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.79 -25.05 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 110.023 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -90.63 -31.45 16.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 73.040000000000006 110.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -72.01 -45.81 59.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 64.200000000000003 109.281 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.401 ' CB ' HG21 ' A' ' 48' ' ' VAL . . . -74.13 -12.64 60.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 73.400000000000006 109.35 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -23.31 62.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 74.230000000000004 110.39 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.531 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -91.49 -56.54 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 65.099999999999994 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.425 ' CE ' ' HB2' ' A' ' 472' ' ' PHE . 60.1 mtp -42.11 -50.08 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 74.099999999999994 111.008 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -65.17 -34.65 78.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 71.349999999999994 110.282 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' VAL . 7.2 p -60.98 -17.53 52.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 73.540000000000006 110.015 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 17.1 mt -91.98 -15.96 27.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 75.510000000000005 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.84 7.3 8.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.153 . . . . 62.32 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.95 -177.54 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 74.540000000000006 109.286 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.474 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -163.94 60.87 0.89 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 72.129999999999995 109.99 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.1 Cg_endo -75.01 139.39 24.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 74.5 110.997 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.35 140.09 38.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 54.229999999999997 109.995 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -53.11 -27.52 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 70.209999999999994 110.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.81 76.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 64.040000000000006 109.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.32 -50.03 17.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 72.230000000000004 110.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.419 ' CG2' ' HB2' ' A' ' 43' ' ' PRO . 39.1 t -39.81 -42.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 74.349999999999994 109.255 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.432 ' C ' ' N ' ' A' ' 51' ' ' LEU . 90.5 m-20 -68.21 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 52.329999999999998 109.274 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.511 ' OD2' ' CD1' ' A' ' 475' ' ' LEU . 0.0 OUTLIER -47.57 -23.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 73.230000000000004 109.308 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -77.97 -68.16 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 74.329999999999998 109.293 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.1 ptm -60.39 -12.3 9.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 75.310000000000002 110.979 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 1.1 m-80 -77.66 -7.63 56.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 73.519999999999996 109.277 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -96.18 -15.59 21.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 64.450000000000003 110.262 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.467 HG23 ' CD1' ' A' ' 71' ' ' LEU . 3.4 mm -106.2 -46.18 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 72.519999999999996 109.317 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 7.0 t0 -38.14 117.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 73.120000000000005 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -89.73 -19.17 7.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 123.577 1.656 . . . . 75.040000000000006 109.266 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 41.2 p-10 -108.25 -5.91 16.61 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.913 -1.041 . . . . 75.409999999999997 109.951 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.484 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 52.28 42.93 56.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 65.120000000000005 111.025 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 35.3 p-10 -95.05 12.27 29.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 72.430000000000007 109.313 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.651 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 37.1 t60 65.85 30.48 9.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 72.200000000000003 109.605 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 53.2 mt-30 -153.77 -179.93 8.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 64.239999999999995 110.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.57 129.49 68.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 73.5 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 5.1 mt-10 -94.69 175.42 6.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 75.239999999999995 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.584 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 t80 -73.63 -12.88 60.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.0 m -92.37 -46.81 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 72.439999999999998 109.982 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.2 -47.59 76.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 73.510000000000005 110.301 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.4 ' O ' ' HB3' ' A' ' 71' ' ' LEU . 58.9 t80 -57.98 -40.52 80.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 75.420000000000002 110.998 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.516 ' HB2' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -74.05 -30.16 62.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 109.309 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.72 -15.65 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 74.239999999999995 109.337 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -70.42 -49.57 47.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 73.329999999999998 109.292 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.472 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 6.5 mmt -59.43 -31.6 69.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 75.340000000000003 111.035 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.5 p -91.15 17.39 8.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 61.399999999999999 109.961 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.45 -41.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 73.5 110.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.454 ' O ' ' NZ ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -102.28 71.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 70.409999999999997 110.342 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.508 ' HB2' ' CB ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -177.15 121.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 71.519999999999996 109.295 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -153.93 -84.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 75.219999999999999 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.9 t -82.95 -67.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 75.129999999999995 110.018 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.82 33.78 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 73.329999999999998 109.34 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.508 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -48.37 -93.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 73.310000000000002 109.278 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 8.6 t -46.86 -53.75 11.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 75.120000000000005 110.001 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -38.5 -45.0 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 70.510000000000005 110.285 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 4.4 mm-40 -61.15 -62.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 74.450000000000003 110.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 81' ' ' SER . 11.1 pt-20 -62.73 -11.47 17.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.420000000000002 110.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.481 ' CD2' ' CD1' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -83.4 -55.81 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 70.340000000000003 109.313 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 87' ' ' GLU . 2.8 pp -65.94 -46.1 79.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 75.420000000000002 109.307 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.528 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 22.2 mm-40 -57.58 -35.13 69.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 74.329999999999998 110.345 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.469 ' HB1' ' CB ' ' A' ' 466' ' ' ALA . . . -85.34 -25.74 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 74.329999999999998 109.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.525 ' CG ' HD13 ' A' ' 137' ' ' ILE . 14.0 t80 -64.14 -62.7 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 74.450000000000003 110.978 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -62.97 -37.33 86.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 73.120000000000005 109.34 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 2.1 t -54.17 -59.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 62.340000000000003 109.336 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.8 m-85 -59.76 -44.54 93.8 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 123.613 1.673 . . . . 72.230000000000004 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.86 99.73 1.43 Allowed 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.893 -1.051 . . . . 72.310000000000002 110.001 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -31.16 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 109.322 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -77.39 -44.74 28.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 72.510000000000005 109.286 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.61 78.86 1.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 73.450000000000003 111.014 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.0 11.36 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 75.400000000000006 109.31 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.09 15.47 72.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.087 . . . . 74.239999999999995 110.973 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.453 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 2.1 mt -147.59 111.5 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 73.209999999999994 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.456 HD11 ' CB ' ' A' ' 92' ' ' PHE . 64.9 mt -76.13 102.07 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 64.040000000000006 109.257 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.0 t -65.98 175.2 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 109.966 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -49.7 -67.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 62.229999999999997 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.469 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -42.21 -65.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 74.019999999999996 109.277 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ALA . 35.3 mt-10 -38.91 -28.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 72.150000000000006 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.54 ' CD1' ' CD1' ' A' ' 135' ' ' ILE . 0.2 OUTLIER -90.94 -72.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 70.420000000000002 109.31 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.469 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -45.35 -58.72 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 74.329999999999998 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.97 -39.07 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.329999999999998 109.58 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.579 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -69.87 -56.25 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 71.420000000000002 109.326 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 114' ' ' GLU . 3.6 mm? -49.32 -32.75 11.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 74.030000000000001 109.333 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.2 m -78.4 -27.75 46.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 73.239999999999995 110.416 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.465 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -64.95 -11.51 39.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 73.329999999999998 109.959 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.477 ' CD1' ' HG2' ' A' ' 461' ' ' LYS . 17.0 pt -112.65 -33.29 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 74.400000000000006 109.265 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 115' ' ' LYS . . . 153.68 -35.6 0.74 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 73.140000000000001 111.011 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' LEU . 4.5 mm-40 -59.05 108.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 71.209999999999994 110.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 113' ' ' GLY . 16.6 mttt -109.82 91.1 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 75.230000000000004 109.294 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.472 HD23 ' CE ' ' A' ' 124' ' ' MET . 4.8 mp -98.78 142.64 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 75.200000000000003 109.312 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.5 p -72.44 153.32 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 72.319999999999993 110.395 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -51.33 -22.7 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 71.349999999999994 109.328 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.21 -40.56 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 74.25 109.283 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -63.96 -47.02 82.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 73.140000000000001 110.317 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 2.3 p -65.67 -50.06 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 70.549999999999997 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.495 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 7.8 t70 -48.92 -23.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 71.439999999999998 109.239 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.06 -34.32 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 64.230000000000004 109.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.472 ' CE ' HD23 ' A' ' 116' ' ' LEU . 6.0 tpp -61.21 -39.1 88.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 75.230000000000004 111.001 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 127' ' ' GLU . 2.5 mt -63.57 -57.35 10.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 73.120000000000005 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 125' ' ' LEU . 24.3 mtt-85 -37.36 -30.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 74.329999999999998 110.272 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 125' ' ' LEU . 97.1 mt-10 -46.49 -50.87 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 71.140000000000001 110.301 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.488 ' CB ' ' HB1' ' A' ' 142' ' ' ALA . 22.1 m -132.37 14.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 75.329999999999998 109.274 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.2 p -99.96 8.77 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.230000000000004 110.033 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 129' ' ' SER . 26.2 t0 38.91 46.58 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 70.349999999999994 109.293 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.1 46.95 68.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 74.099999999999994 111.034 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' SER . 30.1 t -104.65 -77.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 73.099999999999994 109.965 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 151.58 -18.33 0.88 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 73.400000000000006 111.02 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 21.8 mt-10 -135.25 157.97 45.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 75.420000000000002 110.362 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.54 ' CD1' ' CD1' ' A' ' 105' ' ' LEU . 5.5 pt -127.24 127.37 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.309 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.415 ' C ' ' N ' ' A' ' 138' ' ' GLN . 0.1 OUTLIER -93.91 177.72 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 75.140000000000001 109.317 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.525 HD13 ' CG ' ' A' ' 89' ' ' PHE . 10.7 tp -49.61 -22.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 74.230000000000004 109.341 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 136' ' ' ASN . 4.4 mm-40 -83.78 -55.75 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 71.420000000000002 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 19.9 mt-30 -68.28 -57.09 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 73.129999999999995 110.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.452 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 44.5 t80 -41.43 -52.72 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 74.299999999999997 110.998 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.472 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . . . -56.19 -36.22 68.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 74.349999999999994 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 139' ' ' GLN . . . -45.48 -34.48 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 70.319999999999993 109.287 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 135' ' ' ILE . 1.1 mt -68.92 -46.63 67.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 74.040000000000006 109.314 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 2.9 mt -69.74 -8.04 44.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 72.019999999999996 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t -131.26 43.65 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 72.219999999999999 110.002 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.52 83.4 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 109.26 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -118.04 77.98 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.563 1.165 . . . . 74.120000000000005 111.032 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.9 m -148.12 -47.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 72.120000000000005 110.022 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.409 ' O ' ' OG ' ' A' ' 149' ' ' SER . 6.1 p -116.2 54.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 70.109999999999999 110.029 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.545 ' CG2' ' HB2' ' A' ' 455' ' ' ARG . 23.9 p -109.0 -69.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 74.040000000000006 110.37 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.503 ' N ' ' OG1' ' A' ' 150' ' ' THR . . . 66.27 32.34 81.81 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.533 1.146 . . . . 64.310000000000002 111.007 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 151' ' ' GLY . 1.5 m 83.01 32.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 0.795 . . . . 75.329999999999998 110.399 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.33 -49.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.430000000000007 110.285 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.545 ' HB2' ' CG2' ' A' ' 150' ' ' THR . 26.8 mmt-85 -88.72 -15.16 35.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 75.430000000000007 110.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.402 ' NZ ' ' CB ' ' A' ' 456' ' ' LYS . 0.0 OUTLIER -83.91 -21.31 31.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 74.040000000000006 109.275 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.91 -16.1 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 63.420000000000002 109.298 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -53.18 7.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 109.34 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 460' ' ' ASN . 4.0 ptp180 -61.23 -38.22 85.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 73.010000000000005 110.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.486 ' HA ' ' CD1' ' A' ' 463' ' ' LEU . 10.0 t30 -58.39 -34.01 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 71.439999999999998 109.291 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.477 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 6.7 ttmt -56.82 -28.43 61.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 72.019999999999996 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.563 HG21 ' CE1' ' A' ' 92' ' ' PHE . 23.1 mt -89.79 -41.93 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 74.219999999999999 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 92.7 mt -40.55 -38.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 75.329999999999998 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.441 ' C ' ' N ' ' A' ' 466' ' ' ALA . . . -76.6 -58.1 3.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 72.120000000000005 109.342 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.465 ' CD1' HG21 ' A' ' 112' ' ' ILE . 9.0 mt -41.2 -29.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 72.310000000000002 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.469 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . . . -81.33 -72.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 72.299999999999997 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.454 ' NZ ' ' O ' ' A' ' 75' ' ' GLN . 3.9 mttm -49.44 -61.34 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.209999999999994 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.479 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 75.8 t -38.87 -37.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 75.319999999999993 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.75 -54.29 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 75.540000000000006 109.981 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.1 OUTLIER -51.21 -39.94 57.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 73.540000000000006 110.296 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.473 ' HB3' ' CD1' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -45.56 -33.94 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 74.25 111.022 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 28.9 t80 -87.16 -24.24 24.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 74.439999999999998 111.005 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 470' ' ' ARG . 43.8 t -88.31 -5.31 58.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 73.140000000000001 110.007 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 14.8 p -107.1 -46.61 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 72.510000000000005 109.28 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.511 ' CD1' ' OD2' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -40.03 -35.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 72.510000000000005 109.31 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 110.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.968 -0.853 . . . . 60.310000000000002 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 m -112.59 125.09 53.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.74 . . . . 71.400000000000006 109.966 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -156.1 151.14 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 73.239999999999995 110.021 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.79 22.76 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 73.530000000000001 109.304 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 12' ' ' PHE . 6.5 mt -83.8 163.48 20.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 74.319999999999993 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 8.0 p -119.83 161.87 20.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 73.129999999999995 110.413 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -44.21 -38.87 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.310000000000002 110.338 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.71 -38.29 88.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 73.319999999999993 110.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.521 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 20.9 mm100 -68.29 -31.65 71.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 65.420000000000002 110.31 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.402 ' N ' HD11 ' A' ' 9' ' ' ILE . 3.8 mm -64.97 -22.84 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 72.040000000000006 109.32 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.07 -12.71 49.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 63.539999999999999 109.318 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 77.0 mt-10 -76.48 -57.72 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.150000000000006 110.278 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.565 ' CE2' HD12 ' A' ' 4' ' ' LEU . 26.2 m-85 -58.92 -14.63 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 110.971 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 12.5 mtmt -61.98 -28.56 69.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 75.510000000000005 109.338 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -79.92 -52.18 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 65.209999999999994 110.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.628 ' N ' ' HZ3' ' A' ' 461' ' ' LYS . . . -56.82 -17.69 10.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 73.420000000000002 109.26 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.3 t80 -78.73 -40.08 34.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 72.430000000000007 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -19.41 59.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 109.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 112' ' ' ILE . 54.4 mt -50.69 -40.83 54.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.439999999999998 109.299 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 4.5 m-85 -110.05 -34.76 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 74.230000000000004 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -69.69 84.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.5 109.284 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -62.06 -66.86 0.47 Allowed 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 123.656 1.693 . . . . 75.420000000000002 109.302 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.455 ' OD1' ' CB ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.65 -8.93 58.03 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.854 -1.07 . . . . 62.229999999999997 109.963 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 54.0 57.78 5.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 75.439999999999998 109.304 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.455 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . 10.8 p30 -91.92 -20.01 21.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 74.349999999999994 109.277 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.41 34.69 3.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 73.230000000000004 110.98 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 p -168.71 112.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 0.755 . . . . 72.209999999999994 110.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.561 HD12 ' CE1' ' A' ' 16' ' ' PHE . 59.7 mt -94.39 100.41 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 72.299999999999997 109.256 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 p -65.58 162.31 18.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 71.010000000000005 110.0 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 t -57.45 -17.07 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 110.022 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.2 -22.66 21.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 72.219999999999999 109.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -90.39 -30.0 17.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.430000000000007 110.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -75.08 -49.27 20.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 74.120000000000005 109.319 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.69 -12.37 61.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 71.150000000000006 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -24.08 64.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 74.329999999999998 110.369 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.552 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.1 t -91.45 -61.79 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.52 ' HE3' ' CG ' ' A' ' 472' ' ' PHE . 98.9 mtp -39.03 -57.65 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 75.129999999999995 111.041 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -51.97 -41.44 62.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 74.209999999999994 110.33 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' VAL . 6.2 p -55.56 -36.56 66.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 109.979 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 465' ' ' ILE . 17.8 mt -68.55 -21.3 64.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 72.049999999999997 109.296 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.02 2.13 8.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 73.409999999999997 110.977 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -79.01 -177.16 5.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 75.400000000000006 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.487 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 27.9 t -162.32 60.15 1.04 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 73.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.05 140.81 25.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 53.340000000000003 111.005 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -81.57 140.22 34.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 72.120000000000005 109.996 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -52.75 -27.26 17.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 73.239999999999995 110.297 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.67 -49.41 75.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 64.200000000000003 109.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 49' ' ' ASN . 1.9 mt-10 -74.94 -51.62 13.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 110.277 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 43' ' ' PRO . 54.6 t -40.18 -29.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 73.540000000000006 109.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 47' ' ' GLU . 83.4 m-20 -76.1 -67.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 75.510000000000005 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -46.62 -24.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 75.439999999999998 109.321 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -76.37 -68.58 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 74.239999999999995 109.287 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.5 ptm -61.24 -11.8 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.140000000000001 110.962 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -78.38 -7.83 57.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 73.540000000000006 109.314 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -95.45 -11.89 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 60.439999999999998 110.316 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 71' ' ' LEU . 1.3 mm -107.97 -49.48 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 72.420000000000002 109.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 6.5 t0 -39.18 119.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 75.420000000000002 109.272 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -86.38 -27.88 6.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 123.592 1.663 . . . . 72.519999999999996 109.285 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.9 p-10 -100.77 -6.67 24.6 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.892 -1.052 . . . . 74.150000000000006 109.998 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.499 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.9 42.28 79.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 75.349999999999994 111.027 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.405 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 32.9 p-10 -92.68 11.66 25.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 74.109999999999999 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.661 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 38.2 t60 66.03 33.28 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 73.530000000000001 109.586 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 51.3 mt-30 -156.07 165.06 37.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 74.400000000000006 110.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.69 128.77 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 60.439999999999998 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -95.93 175.93 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.310000000000002 110.278 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.605 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.3 t80 -71.28 -13.14 61.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 71.299999999999997 110.99 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -91.8 -43.36 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 73.310000000000002 109.979 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -69.05 -52.35 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 60.310000000000002 110.311 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -52.5 -44.32 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 72.549999999999997 111.006 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -69.91 -34.45 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 74.409999999999997 109.33 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.84 -15.64 60.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 73.409999999999997 109.326 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 75' ' ' GLN . 36.6 tp -75.28 -46.29 34.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 73.400000000000006 109.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.424 ' CE ' ' HD3' ' A' ' 467' ' ' LYS . 2.4 mmt -48.08 -36.96 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 110.998 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.3 p -76.09 -28.06 57.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 73.420000000000002 109.955 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -119.09 65.42 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 74.099999999999994 110.317 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.481 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -127.33 -43.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 65.010000000000005 110.28 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.514 ' CB ' ' HA ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -105.89 -173.94 2.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 72.230000000000004 109.344 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.48 -83.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 74.519999999999996 109.319 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -83.14 -91.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 72.129999999999995 109.951 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.455 ' HB2' ' CB ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -71.38 68.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 73.319999999999993 109.335 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.514 ' HA ' ' CB ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -57.51 -71.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 75.439999999999998 109.28 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.493 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 1.2 p -53.67 -44.39 69.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 63.25 110.028 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 79' ' ' ASN . 2.7 mt-10 -63.41 -16.2 59.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 75.230000000000004 110.269 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.507 ' OE1' ' CZ ' ' A' ' 470' ' ' ARG . 0.0 OUTLIER -92.93 -64.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 72.430000000000007 110.315 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.493 ' CG ' ' HA ' ' A' ' 81' ' ' SER . 0.3 OUTLIER -45.89 -36.64 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 71.439999999999998 110.298 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.572 ' CD2' ' CB ' ' A' ' 141' ' ' ALA . 0.3 OUTLIER -71.23 -67.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 72.239999999999995 109.32 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -40.49 -36.25 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 73.530000000000001 109.312 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.506 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 3.1 mm-40 -73.13 -48.94 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 75.129999999999995 110.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' LEU . . . -67.94 -16.28 63.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 64.030000000000001 109.335 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 85' ' ' LEU . 12.4 t80 -73.75 -64.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 74.120000000000005 110.991 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -65.5 -30.24 70.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 73.230000000000004 109.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 5.9 t -61.43 -54.67 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 74.430000000000007 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 3.9 m-85 -65.0 -45.89 83.72 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.62 1.676 . . . . 71.439999999999998 111.016 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.19 98.77 0.83 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.906 -1.045 . . . . 74.230000000000004 109.968 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.94 -29.25 22.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 65.329999999999998 109.285 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.444 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -79.09 -42.95 25.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 73.239999999999995 109.299 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.58 77.46 1.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 64.310000000000002 110.987 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -137.26 8.84 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 74.329999999999998 109.329 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.55 11.61 72.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 71.450000000000003 111.027 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.462 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 2.2 mt -144.28 113.74 7.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 75.230000000000004 109.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.455 HD12 ' CB ' ' A' ' 92' ' ' PHE . 57.1 mt -76.8 104.84 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 72.010000000000005 109.282 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.4 t -67.37 -175.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 64.409999999999997 109.956 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -56.91 -70.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 74.120000000000005 109.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.478 ' HA ' ' HG3' ' A' ' 106' ' ' LYS . . . -41.82 -66.22 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 62.200000000000003 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 103' ' ' ALA . 33.9 mt-10 -38.32 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 75.299999999999997 110.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ALA . 3.9 tp -89.73 -71.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 71.230000000000004 109.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.478 ' HG3' ' HA ' ' A' ' 103' ' ' ALA . 0.4 OUTLIER -47.25 -60.66 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 74.109999999999999 109.332 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.568 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.56 -41.43 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 73.099999999999994 109.602 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.634 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.3 t -67.07 -42.97 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 75.439999999999998 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 114' ' ' GLU . 2.5 mm? -60.93 -38.21 85.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 73.129999999999995 109.259 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.5 m -77.54 -27.05 51.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 71.540000000000006 110.413 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -65.13 -12.45 51.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 75.430000000000007 110.022 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.49 ' CD1' ' CG ' ' A' ' 461' ' ' LYS . 12.0 pt -112.8 -32.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 75.420000000000002 109.332 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 154.92 -35.35 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 70.420000000000002 111.023 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 109' ' ' LEU . 7.7 mm-40 -61.05 106.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 75.430000000000007 110.287 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -103.8 95.46 6.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 71.349999999999994 109.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.459 ' CD2' ' HE1' ' A' ' 124' ' ' MET . 3.9 mp -107.77 142.31 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 74.519999999999996 109.265 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 120' ' ' GLU . 13.7 p -74.15 152.34 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 74.310000000000002 110.39 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.92 -21.81 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 72.150000000000006 109.295 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.38 -34.62 23.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 72.420000000000002 109.299 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 117' ' ' THR . 47.3 mt-10 -73.33 -29.68 62.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 75.109999999999999 110.321 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 9.9 p -81.88 -52.93 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 72.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.47 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 10.2 t70 -49.79 -23.04 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 75.439999999999998 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.02 -31.89 16.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 71.310000000000002 109.328 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.459 ' HE1' ' CD2' ' A' ' 116' ' ' LEU . 34.1 ttm -64.65 -37.75 88.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 73.530000000000001 111.016 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 129' ' ' SER . 12.7 mt -64.56 -56.92 10.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 64.530000000000001 109.317 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.411 ' HA ' ' OG ' ' A' ' 129' ' ' SER . 23.2 mtt-85 -38.26 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 110.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 125' ' ' LEU . 15.0 mm-40 -49.15 -50.58 36.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 72.120000000000005 110.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.498 ' CB ' ' HB2' ' A' ' 142' ' ' ALA . 16.7 m -132.75 17.55 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 74.530000000000001 109.255 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.5 p -102.67 2.32 35.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 72.120000000000005 109.99 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.2 t0 45.15 48.36 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 74.340000000000003 109.277 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 49.28 36.23 22.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 60.119999999999997 110.975 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 129' ' ' SER . 94.4 p -88.05 -72.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 73.209999999999994 110.032 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.64 -16.58 1.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 74.239999999999995 111.012 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.419 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.7 mt-10 -141.57 170.11 16.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 72.129999999999995 110.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.411 ' HB ' ' N ' ' A' ' 140' ' ' PHE . 3.8 pt -135.88 122.44 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.040000000000006 109.291 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -93.06 175.84 6.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 72.530000000000001 109.318 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 7.3 tp -46.97 -24.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 73.329999999999998 109.308 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -81.55 -58.07 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 74.209999999999994 110.306 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 23.6 mt-30 -66.06 -58.29 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 55.210000000000001 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' ASN . 9.4 t80 -43.21 -48.76 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 73.140000000000001 111.051 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.572 ' CB ' ' CD2' ' A' ' 85' ' ' LEU . . . -53.24 -36.55 61.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 72.109999999999999 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.498 ' HB2' ' CB ' ' A' ' 128' ' ' VAL . . . -45.35 -49.18 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 54.329999999999998 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -42.95 91.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 75.319999999999993 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 144' ' ' LEU . 1.4 mt -74.18 -3.41 29.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 109.266 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -144.07 41.82 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 70.409999999999997 110.017 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 142' ' ' ALA . 10.4 tptp -91.19 -62.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 74.420000000000002 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 41.95 49.08 5.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 65.319999999999993 111.053 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.0 t -126.98 128.78 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.746 . . . . 74.540000000000006 109.993 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.4 m 40.38 69.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 74.25 110.042 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.504 ' CG2' ' HB2' ' A' ' 455' ' ' ARG . 45.1 p -109.3 -72.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 62.439999999999998 110.427 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 453' ' ' THR . . . 80.23 27.01 53.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 70.420000000000002 110.974 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 151' ' ' GLY . 1.5 m 83.06 27.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 75.319999999999993 110.397 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 61.3 mmt-85 -128.56 -46.94 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 74.239999999999995 110.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.504 ' HB2' ' CG2' ' A' ' 150' ' ' THR . 35.2 mmt-85 -87.55 -19.91 27.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 75.450000000000003 110.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.438 ' CB ' ' NH2' ' A' ' 459' ' ' ARG . 0.1 OUTLIER -77.79 -21.78 51.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 70.450000000000003 109.306 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.15 -16.12 28.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 70.040000000000006 109.264 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.02 -42.33 76.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 75.030000000000001 109.27 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.438 ' NH2' ' CB ' ' A' ' 456' ' ' LYS . 1.9 ptp85 -76.25 -26.91 56.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 75.439999999999998 110.321 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 11' ' ' GLU . 14.4 t30 -66.19 -31.2 71.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 74.209999999999994 109.339 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.628 ' HZ3' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -54.91 -26.87 38.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 71.219999999999999 109.28 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.544 HG21 ' CE1' ' A' ' 92' ' ' PHE . 8.5 mt -89.61 -37.65 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 73.319999999999993 109.332 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.0 mp -40.88 -48.82 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 72.430000000000007 109.308 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 466' ' ' ALA . . . -69.73 -59.58 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 75.239999999999995 109.343 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.476 HG21 ' CD1' ' A' ' 39' ' ' LEU . 76.3 mt -39.91 -30.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 75.400000000000006 109.281 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 464' ' ' ALA . . . -87.49 -72.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 70.329999999999998 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 470' ' ' ARG . 22.4 mttm -39.8 -67.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 74.420000000000002 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 35.3 t -45.09 -51.21 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 71.430000000000007 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 10.9 t -55.88 -31.7 63.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 75.510000000000005 109.998 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.507 ' CZ ' ' OE1' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -76.72 -40.14 49.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 72.230000000000004 110.305 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.447 ' CE ' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -47.81 -22.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 75.310000000000002 110.974 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 43' ' ' PRO . 18.0 t80 -92.22 -28.21 17.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 73.040000000000006 111.038 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 470' ' ' ARG . 9.9 t -87.1 -1.86 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 70.239999999999995 110.01 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.422 ' HB ' ' CD ' ' A' ' 470' ' ' ARG . 12.2 p -109.08 -46.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 71.450000000000003 109.283 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -42.23 -33.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 75.409999999999997 109.281 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 72.430000000000007 110.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 65.420000000000002 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 t -101.57 -9.29 21.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 52.240000000000002 109.982 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p 39.67 42.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.299999999999997 109.955 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -90.26 53.13 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 63.32 109.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 1.1 mt -75.18 150.17 38.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.239999999999995 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 p -100.55 162.75 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 62.240000000000002 110.434 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 7' ' ' GLU . 11.9 pt-20 -40.97 -40.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.030000000000001 110.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 1.9 tp10 -62.86 -52.55 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 73.329999999999998 110.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.502 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 8.6 mm100 -49.91 -30.36 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 61.240000000000002 110.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.528 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.2 mm -71.79 -35.3 54.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 74.409999999999997 109.272 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.33 -12.62 60.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 71.25 109.309 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 89.0 mt-10 -74.3 -61.04 2.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 65.299999999999997 110.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 24.5 m-85 -59.9 -14.05 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 75.340000000000003 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 1.1 mttt -64.93 -22.27 66.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 75.540000000000006 109.284 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.58 -57.79 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.230000000000004 110.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.96 -20.96 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 73.010000000000005 109.317 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.573 ' CE1' HD12 ' A' ' 27' ' ' ILE . 6.9 t80 -75.66 -39.03 58.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 71.140000000000001 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -28.01 66.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 71.420000000000002 109.307 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 65.5 mt -43.17 -39.75 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 71.349999999999994 109.316 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 35' ' ' VAL . 5.2 m-85 -110.44 -45.85 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 75.109999999999999 111.024 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.481 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -58.8 86.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 74.409999999999997 109.272 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 19' ' ' PHE . 63.7 mmtt -65.79 -67.28 0.46 Allowed 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.62 1.676 . . . . 73.230000000000004 109.352 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -73.92 -12.95 60.81 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.875 -1.059 . . . . 70.430000000000007 109.965 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.4 m120 57.73 62.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 74.030000000000001 109.316 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.3 p30 -97.03 -22.01 17.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 74.019999999999996 109.345 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.83 33.79 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 72.549999999999997 111.028 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.98 111.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 75.540000000000006 109.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.573 HD12 ' CE1' ' A' ' 16' ' ' PHE . 75.4 mt -91.83 101.19 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 72.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -68.07 165.76 17.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 72.519999999999996 110.005 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.476 ' CB ' HG13 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -61.22 -15.46 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 62.340000000000003 110.033 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.7 -24.93 22.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 65.019999999999996 110.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -90.73 -29.9 17.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 71.530000000000001 110.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD2' HG11 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -74.82 -48.78 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 72.120000000000005 109.345 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.417 ' N ' HD22 ' A' ' 32' ' ' LEU . . . -69.88 -12.37 61.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 74.439999999999998 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.95 -25.53 63.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 63.299999999999997 110.379 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.0 t -91.49 -62.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 75.420000000000002 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.454 ' CE ' ' HB2' ' A' ' 472' ' ' PHE . 90.3 mtp -41.64 -46.34 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.310000000000002 111.001 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.4 ptm180 -62.36 -43.54 98.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 73.540000000000006 110.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 25.6 m -56.13 -35.66 67.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 71.299999999999997 109.98 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.455 ' CD1' ' CG2' ' A' ' 465' ' ' ILE . 4.0 mt -69.96 -22.34 63.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 74.140000000000001 109.331 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.32 -4.9 8.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 61.200000000000003 111.004 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.452 HD12 ' CA ' ' A' ' 36' ' ' MET . 15.2 mt -70.06 177.33 3.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 72.109999999999999 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.527 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 16.0 p -157.56 58.17 1.42 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 62.409999999999997 109.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.5 Cg_endo -74.92 114.01 3.93 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.538 1.809 . . . . 75.25 111.043 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.67 140.58 54.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 73.140000000000001 109.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -46.3 -28.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 73.439999999999998 110.26 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.34 77.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 64.450000000000003 109.288 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.5 mm-40 -74.77 -49.92 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.030000000000001 110.256 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.476 HG13 ' CB ' ' A' ' 29' ' ' SER . 53.4 t -41.11 -39.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 72.030000000000001 109.313 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' ASN . 93.0 m-20 -65.41 -61.23 2.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 74.349999999999994 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.0 -16.1 11.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 71.439999999999998 109.273 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.505 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.5 tm? -82.18 -51.26 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 64.120000000000005 109.271 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 56' ' ' ASP . 6.3 ptm -79.06 -13.33 59.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 75.230000000000004 110.98 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 6.4 m-80 -85.27 -8.77 58.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 74.409999999999997 109.324 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -85.94 -12.24 51.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 75.5 110.295 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 71' ' ' LEU . 2.0 mm -117.83 -39.78 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 73.319999999999993 109.339 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 2.6 t0 -38.92 119.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 74.430000000000007 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 67' ' ' GLU . 2.6 p -93.04 -31.55 4.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 CA-C-O 123.615 1.674 . . . . 74.140000000000001 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 49.7 p30 -92.51 -7.32 47.67 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.946 -1.026 . . . . 75.450000000000003 110.022 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.34 42.08 88.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 63.43 111.028 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 39.4 p-10 -96.97 10.22 39.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 74.430000000000007 109.268 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.72 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 17.1 t60 66.83 32.26 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 70.019999999999996 109.639 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 42.7 mt-30 -152.96 -175.86 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 74.230000000000004 110.32 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.18 126.19 58.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 72.349999999999994 109.286 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -93.52 177.92 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 74.299999999999997 110.295 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 4.2 t80 -76.01 -13.3 60.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 61.240000000000002 110.987 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 p -90.43 -44.26 9.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 72.340000000000003 109.998 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG2' ' CG1' ' A' ' 57' ' ' VAL . 10.3 mt-10 -70.29 -53.17 17.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 71.040000000000006 110.295 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -51.81 -45.38 63.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.349999999999994 111.016 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.22 -31.8 69.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.219999999999999 109.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.68 -16.43 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 63.329999999999998 109.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 55' ' ' ILE . 5.0 tp -73.74 -50.91 18.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 74.439999999999998 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.463 ' SD ' ' CD ' ' A' ' 467' ' ' LYS . 6.2 mmt -56.05 -42.61 76.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 75.010000000000005 111.011 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.1 p -82.18 6.06 17.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 73.409999999999997 110.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -127.33 10.66 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 74.299999999999997 110.282 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' C ' ' CG ' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -108.65 54.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 71.409999999999997 110.293 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.455 ' HA ' ' CB ' ' A' ' 80' ' ' ASP . 6.9 mt -155.11 112.15 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 74.510000000000005 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -136.62 -61.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 73.109999999999999 109.307 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.7 t -132.85 -74.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 73.209999999999994 109.988 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.86 43.56 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 109.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -73.51 -67.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.340000000000003 109.333 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.76 -35.65 14.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 72.519999999999996 109.985 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.05 -33.53 76.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 75.519999999999996 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.454 ' OE1' ' NH1' ' A' ' 470' ' ' ARG . 22.0 mm-40 -68.72 -64.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 73.109999999999999 110.312 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' GLN . 8.9 pt-20 -38.55 -29.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 73.109999999999999 110.298 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.476 HD22 ' CB ' ' A' ' 141' ' ' ALA . 7.8 mt -66.52 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 73.010000000000005 109.28 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.423 HD21 ' NE2' ' A' ' 83' ' ' GLN . 2.8 pp -57.76 -46.91 83.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 74.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.522 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 36.2 mm-40 -51.58 -44.89 62.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 71.319999999999993 110.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.484 ' HB3' ' CB ' ' A' ' 466' ' ' ALA . . . -80.5 -24.63 39.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 73.420000000000002 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.9 t80 -66.04 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 72.219999999999999 110.99 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -60.95 -31.34 70.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 75.530000000000001 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 2.3 t -62.7 -54.72 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 75.430000000000007 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.633 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 3.2 m-85 -64.39 -41.7 96.52 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.659 1.695 . . . . 73.299999999999997 111.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.3 OUTLIER -71.9 101.93 2.78 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.927 -1.035 . . . . 74.340000000000003 109.995 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 -33.27 19.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 75.129999999999995 109.297 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.61 -44.97 32.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 74.409999999999997 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.04 78.58 1.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 75.200000000000003 111.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.44 11.34 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 75.040000000000006 109.306 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.498 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 69.97 18.45 74.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 75.420000000000002 111.001 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -150.03 110.92 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 75.120000000000005 109.268 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.427 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 57.4 mt -75.58 104.12 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 75.400000000000006 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.1 p -69.66 173.27 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 74.120000000000005 110.015 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -44.67 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 63.409999999999997 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.478 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -41.75 -66.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 64.129999999999995 109.282 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ALA . 33.5 mt-10 -37.94 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 62.240000000000002 110.281 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 103' ' ' ALA . 3.0 tp -89.99 -72.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 72.230000000000004 109.304 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -46.57 -60.02 2.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 75.430000000000007 109.269 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.574 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.22 -41.5 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 72.319999999999993 109.564 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.633 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -68.6 -41.81 83.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 73.400000000000006 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' LYS . 0.7 OUTLIER -61.44 -38.15 86.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 72.340000000000003 109.283 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 7.0 m -81.28 -10.17 59.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 72.120000000000005 110.38 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.89 0.07 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 70.219999999999999 109.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.473 HD11 ' CD2' ' A' ' 18' ' ' LEU . 2.6 pt -112.72 -33.05 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 73.420000000000002 109.298 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.424 ' N ' HG13 ' A' ' 112' ' ' ILE . . . 150.25 -42.51 0.77 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 74.420000000000002 111.025 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -52.04 173.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 75.219999999999999 110.267 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 114' ' ' GLU . 14.4 mtmm -154.72 116.96 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 71.530000000000001 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.465 ' N ' ' OE2' ' A' ' 114' ' ' GLU . 1.5 mp -125.85 138.34 53.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 75.010000000000005 109.329 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' GLU . 21.5 p -66.64 147.73 52.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 72.319999999999993 110.388 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.37 -21.79 3.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 73.140000000000001 109.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.72 -27.98 20.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 74.409999999999997 109.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' THR . 20.0 mm-40 -73.68 -47.92 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 72.420000000000002 110.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.462 HG13 ' CG ' ' A' ' 106' ' ' LYS . 11.6 p -67.07 -53.91 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 75.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 8.8 t70 -50.74 -21.96 1.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 75.200000000000003 109.281 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -90.71 -31.93 16.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 73.409999999999997 109.302 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.447 ' HE3' ' CD2' ' A' ' 116' ' ' LEU . 14.3 ttm -63.21 -30.88 71.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 73.319999999999993 111.017 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 129' ' ' SER . 13.1 mt -65.95 -52.5 49.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 73.439999999999998 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.437 ' HA ' ' OG ' ' A' ' 129' ' ' SER . 37.9 mtt180 -37.87 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 64.25 110.288 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 89.6 mt-10 -48.86 -50.3 35.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.329999999999998 110.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.487 ' CB ' ' HB2' ' A' ' 142' ' ' ALA . 34.4 m -132.13 16.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 73.349999999999994 109.324 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 125' ' ' LEU . 38.5 p -106.17 3.58 28.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 73.450000000000003 109.991 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 129' ' ' SER . 20.0 t70 38.36 50.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 55.43 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 48.31 45.68 28.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 63.340000000000003 111.003 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 129' ' ' SER . 37.5 t -95.8 -69.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 71.310000000000002 110.001 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.17 -11.43 2.3 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 75.530000000000001 110.993 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.4 mt-10 -148.37 166.79 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 0.798 . . . . 75.239999999999995 110.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.436 ' HA ' ' NE2' ' A' ' 139' ' ' GLN . 7.3 pt -136.67 130.33 46.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 72.120000000000005 109.301 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.13 -176.28 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 74.430000000000007 109.267 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 85' ' ' LEU . 6.5 tp -56.59 -17.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 74.329999999999998 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.448 ' OE1' ' CG2' ' A' ' 137' ' ' ILE . 14.4 mm100 -88.23 -50.86 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 73.319999999999993 110.283 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 29.3 mt-30 -70.3 -57.25 5.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 74.519999999999996 110.314 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -42.36 -51.48 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 110.966 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.476 ' CB ' HD22 ' A' ' 85' ' ' LEU . . . -58.24 -35.12 71.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 74.230000000000004 109.259 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 139' ' ' GLN . . . -46.54 -38.74 9.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 64.049999999999997 109.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.69 -45.06 86.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 73.409999999999997 109.286 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -75.93 -13.18 60.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 109.279 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.16 44.56 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 71.439999999999998 109.961 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 142' ' ' ALA . 21.1 tptt -179.1 113.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 75.019999999999996 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -135.56 79.98 0.31 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 72.340000000000003 110.987 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 149' ' ' SER . 1.4 t -87.61 116.22 25.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 55.310000000000002 110.04 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 148' ' ' SER . 1.2 m 85.58 31.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 75.329999999999998 110.037 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.491 ' CG2' ' CB ' ' A' ' 455' ' ' ARG . 64.1 p -114.73 -179.6 3.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 72.329999999999998 110.451 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 178.73 -68.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.096 . . . . 72.439999999999998 110.963 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 3.7 m -144.77 16.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 73.510000000000005 110.414 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -129.19 -47.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 75.510000000000005 110.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.491 ' CB ' ' CG2' ' A' ' 150' ' ' THR . 37.2 mmt-85 -85.63 -32.78 21.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 64.120000000000005 110.28 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.466 ' HE3' ' CB ' ' A' ' 457' ' ' ALA . 0.0 OUTLIER -57.19 -22.87 43.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 75.120000000000005 109.286 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . 0.466 ' CB ' ' HE3' ' A' ' 456' ' ' LYS . . . -86.98 -21.6 26.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 74.319999999999993 109.307 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -44.53 97.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 75.140000000000001 109.333 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 2.1 ptp85 -77.09 -26.04 52.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.329999999999998 110.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 11' ' ' GLU . 20.7 t30 -70.04 -29.43 66.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 72.140000000000001 109.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -57.72 -26.43 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 73.209999999999994 109.303 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.524 HG23 ' CE1' ' A' ' 92' ' ' PHE . 7.6 mt -89.16 -32.52 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 74.439999999999998 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.406 ' N ' HD13 ' A' ' 463' ' ' LEU . 6.1 mp -48.23 -46.17 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 74.230000000000004 109.307 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.508 ' O ' ' CG2' ' A' ' 468' ' ' VAL . . . -68.28 -61.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 61.130000000000003 109.307 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.466 ' CD1' ' CG2' ' A' ' 112' ' ' ILE . 17.8 mt -47.05 -24.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 71.099999999999994 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.484 ' CB ' ' HB3' ' A' ' 88' ' ' ALA . . . -80.79 -63.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 74.219999999999999 109.341 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.463 ' CD ' ' SD ' ' A' ' 72' ' ' MET . 22.2 mttt -61.26 -63.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 75.519999999999996 109.346 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 464' ' ' ALA . 5.0 m -38.85 -31.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 73.319999999999993 109.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 467' ' ' LYS . 1.3 t -77.71 -56.97 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 73.450000000000003 110.029 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.0 OUTLIER -50.1 -44.83 52.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 110.329 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.454 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 14.1 mtm -45.81 -29.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 72.030000000000001 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 12.6 t80 -87.27 -27.46 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 60.409999999999997 110.997 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 470' ' ' ARG . 13.9 t -86.22 -2.06 58.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 73.420000000000002 110.018 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.406 ' C ' ' N ' ' A' ' 476' ' ' ARG . 12.2 p -112.6 -44.85 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 71.329999999999998 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.22 -33.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 65.019999999999996 109.333 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 73.129999999999995 110.345 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.968 -0.853 . . . . 74.540000000000006 110.968 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p -88.35 146.6 25.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 72.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -67.81 79.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 75.450000000000003 109.995 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -84.72 56.13 3.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 74.030000000000001 109.238 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.459 HD12 ' CZ ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -116.65 149.4 39.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 73.349999999999994 109.307 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p -77.38 162.42 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.140000000000001 110.387 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -53.93 -23.6 13.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.409999999999997 110.293 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -73.68 -30.36 62.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 71.129999999999995 110.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 3.3 mt-30 -78.87 -39.0 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 72.150000000000006 110.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.6 mm -60.71 -21.44 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 73.340000000000003 109.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.79 -18.24 35.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 75.219999999999999 109.332 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 52.2 mt-10 -73.74 -61.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 73.340000000000003 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 33.4 m-85 -53.8 -22.12 8.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 71.209999999999994 110.964 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -54.72 -31.65 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.230000000000004 109.307 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.08 -35.35 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.540000000000006 110.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -71.05 -15.3 62.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 65.129999999999995 109.263 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 8.0 t80 -86.73 -35.1 19.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 73.129999999999995 110.965 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.25 -18.2 65.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 72.340000000000003 109.298 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 59.2 mt -51.16 -34.71 32.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.566 ' CE2' ' HB ' ' A' ' 35' ' ' VAL . 5.8 m-85 -115.69 -49.82 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 71.239999999999995 111.043 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.65 92.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 64.230000000000004 109.296 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.1 mmtt -70.48 -67.3 0.51 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 123.64 1.686 . . . . 73.319999999999993 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.6 p30 -74.45 -7.88 54.44 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.898 -1.049 . . . . 74.129999999999995 109.962 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.74 61.18 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 71.209999999999994 109.283 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 13.1 p30 -94.09 -26.83 16.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 70.5 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 111.58 33.61 2.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 75.120000000000005 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.401 ' CB ' ' OE1' ' A' ' 62' ' ' GLN . 0.6 OUTLIER -168.91 111.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 63.219999999999999 110.012 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.552 HD12 ' CE1' ' A' ' 16' ' ' PHE . 90.4 mt -92.41 99.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 74.239999999999995 109.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 p -64.97 179.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.319999999999993 110.004 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -68.61 -34.16 75.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 74.219999999999999 110.024 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -30.15 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 75.439999999999998 110.025 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -82.55 -35.2 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 74.120000000000005 110.347 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -73.31 -49.61 26.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 63.009999999999998 109.323 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.09 -12.84 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 73.510000000000005 109.314 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.404 ' CG2' ' HE3' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -68.73 -23.96 64.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 74.310000000000002 110.407 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 1.7 t -88.72 -56.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 75.140000000000001 109.32 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' VAL . 70.7 mmm -37.26 -55.37 1.01 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 71.409999999999997 110.987 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' SER . 18.2 ptp180 -61.34 -42.46 98.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 75.200000000000003 110.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.3 m -54.77 -22.14 13.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 61.32 110.012 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 18.4 mt -90.81 -22.41 21.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 74.150000000000006 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.69 4.87 8.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 73.019999999999996 111.05 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.0 mt -81.76 -176.35 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 75.450000000000003 109.334 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.458 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 34.3 p -162.61 61.17 1.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 63.130000000000003 110.029 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.99 139.28 24.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 64.129999999999995 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.43 140.34 38.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 65.230000000000004 110.005 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 16.6 tt0 -53.73 -27.33 27.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 75.040000000000006 110.328 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.0 -49.2 75.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 73.040000000000006 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 475' ' ' LEU . 2.7 mt-10 -74.07 -51.91 14.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 71.519999999999996 110.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.468 HG11 ' CD2' ' A' ' 32' ' ' LEU . 55.1 t -40.41 -29.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 65.329999999999998 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 47' ' ' GLU . 86.8 m-20 -73.33 -65.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 73.530000000000001 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -22.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 71.519999999999996 109.298 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 475' ' ' LEU . 4.6 tt -80.52 -62.42 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 72.030000000000001 109.303 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.2 ptm -62.97 -13.75 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 62.210000000000001 110.958 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -90.74 -12.39 36.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 75.349999999999994 109.317 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -82.47 -10.32 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.409999999999997 110.261 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 71' ' ' LEU . 1.2 mm -117.74 -41.57 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 73.409999999999997 109.326 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 7.1 t0 -37.93 123.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.229999999999997 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.455 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 3.3 t -82.19 -36.13 13.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 CA-C-O 123.596 1.665 . . . . 74.329999999999998 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.505 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 54.3 p30 -97.08 -6.15 35.82 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.86 -1.067 . . . . 70.420000000000002 109.967 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.84 43.18 81.14 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.523 1.139 . . . . 73.409999999999997 110.997 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 29.1 p-10 -97.49 13.75 28.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.771 . . . . 72.400000000000006 109.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.654 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 44.3 t60 67.63 38.21 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.040000000000006 109.609 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.422 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 34.2 mt-30 -154.3 158.45 40.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 74.530000000000001 110.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -116.24 123.73 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 72.25 109.318 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 5.7 mt-10 -91.75 166.49 12.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 64.349999999999994 110.34 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.608 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.8 t80 -64.66 -12.99 52.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 72.329999999999998 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.3 p -94.27 -43.13 8.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 71.450000000000003 110.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 20.3 mt-10 -67.75 -47.99 67.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 75.540000000000006 110.315 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -58.7 -42.11 87.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 74.150000000000006 111.035 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HB2' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -70.68 -31.04 67.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 75.349999999999994 109.288 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -70.83 -19.97 62.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 65.549999999999997 109.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' CD1' HD12 ' A' ' 55' ' ' ILE . 3.3 tp -69.57 -53.29 19.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 74.530000000000001 109.332 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.488 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -60.29 -16.92 38.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.319999999999993 110.99 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -118.15 27.28 9.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 74.040000000000006 109.967 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -135.33 -75.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 73.010000000000005 110.313 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.42 ' N ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -68.29 109.29 3.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 63.43 110.26 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.444 ' HA ' ' CB ' ' A' ' 80' ' ' ASP . 14.6 mt -148.3 -76.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 73.329999999999998 109.266 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 78' ' ' SER . 2.1 mtmt 78.44 2.01 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 74.299999999999997 109.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 2.1 m 79.54 7.68 1.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 72.209999999999994 109.999 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.413 ' O ' ' CG ' ' A' ' 83' ' ' GLN . 0.4 OUTLIER -116.5 -7.3 11.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 63.039999999999999 109.33 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -73.32 -62.79 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 73.040000000000006 109.291 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 80' ' ' ASP . 43.7 t -38.67 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 72.239999999999995 109.956 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -90.69 -44.29 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 73.409999999999997 110.294 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.507 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 3.6 mm-40 -65.17 -60.14 3.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 64.439999999999998 110.31 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 6.2 pt-20 -38.62 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 73.120000000000005 110.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.536 HD23 ' CB ' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -72.25 -68.75 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.148 . . . . 75.040000000000006 109.284 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.507 ' CD2' ' HA ' ' A' ' 83' ' ' GLN . 1.8 pp -46.47 -30.68 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 109.309 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 11.4 mm-40 -73.77 -57.32 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 70.219999999999999 110.291 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 91' ' ' VAL . . . -64.9 -13.02 55.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 55.240000000000002 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.521 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 16.3 t80 -83.95 -55.82 4.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 75.040000000000006 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 11.9 ptpt -67.34 -40.71 85.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 72.5 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 1.7 p -55.06 -47.78 76.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 75.420000000000002 109.29 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.581 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 3.4 m-85 -68.0 -37.83 81.92 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.639 1.685 . . . . 73.510000000000005 111.012 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' OD2' ' HA2' ' A' ' 96' ' ' GLY . 0.3 OUTLIER -76.15 102.61 5.82 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 117.953 -1.023 . . . . 75.340000000000003 109.969 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -32.37 19.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.219999999999999 109.322 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.45 -50.94 12.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 73.239999999999995 109.289 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.47 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 93.11 63.59 1.09 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 73.530000000000001 110.97 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.456 ' HB3' ' OD1' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -119.19 -6.13 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 74.010000000000005 109.273 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.14 7.81 67.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 60.200000000000003 111.028 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.453 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 1.1 mt -142.27 116.56 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 73.409999999999997 109.311 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.414 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 58.0 mt -78.75 105.82 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 73.409999999999997 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 p -70.03 -178.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 74.430000000000007 110.027 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 106' ' ' LYS . . . -51.8 -71.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 63.109999999999999 109.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -41.1 -65.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 75.310000000000002 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' ALA . 75.2 mt-10 -38.34 -29.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.409999999999997 110.353 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 103' ' ' ALA . 3.3 tp -93.46 -72.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 73.409999999999997 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.482 ' HB3' ' CG2' ' A' ' 121' ' ' VAL . 5.6 ptmt -48.51 -56.98 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 74.340000000000003 109.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.534 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.3 -37.6 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.239999999999995 109.581 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.581 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -71.92 -40.26 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 75.510000000000005 109.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' GLU . 1.9 mm? -67.12 -26.18 66.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 109.354 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.6 m -82.8 -17.16 45.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 74.540000000000006 110.357 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.482 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -76.72 -10.69 59.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 70.230000000000004 109.974 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 461' ' ' LYS . 6.1 pt -112.44 -32.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 74.349999999999994 109.271 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.36 -33.73 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 61.350000000000001 110.958 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 109' ' ' LEU . 10.4 mm-40 -62.63 106.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 71.140000000000001 110.269 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -106.73 93.21 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 75.530000000000001 109.357 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.443 ' CD2' ' HE2' ' A' ' 124' ' ' MET . 1.4 mp -102.39 142.52 33.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 72.420000000000002 109.32 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.2 p -75.15 155.68 36.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 73.530000000000001 110.374 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 33.3 t0 -53.65 -34.3 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 72.049999999999997 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.19 -24.13 51.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 75.510000000000005 109.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -76.73 -56.69 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 65.019999999999996 110.301 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -63.07 -50.4 79.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 74.109999999999999 109.289 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.51 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 12.8 t0 -47.07 -25.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 65.319999999999993 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 121' ' ' VAL . 3.4 t0 -90.65 -35.99 14.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 72.349999999999994 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 121' ' ' VAL . 36.7 ttm -62.73 -36.11 81.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 74.230000000000004 110.991 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 127' ' ' GLU . 10.1 mt -62.12 -52.66 62.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 71.540000000000006 109.261 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 125' ' ' LEU . 37.5 mtt180 -37.11 -30.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.450000000000003 110.329 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 27.0 mm-40 -46.42 -50.39 16.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 75.120000000000005 110.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.507 ' CB ' ' HB1' ' A' ' 142' ' ' ALA . 19.9 m -132.32 14.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.409999999999997 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.0 p -100.48 11.29 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 75.329999999999998 109.992 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 129' ' ' SER . 25.9 t0 39.2 45.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 73.329999999999998 109.257 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.91 46.75 75.66 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.492 1.12 . . . . 55.240000000000002 110.984 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' SER . 41.5 t -106.83 -77.39 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 0.795 . . . . 65.510000000000005 110.002 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.9 -17.58 1.08 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.518 1.136 . . . . 61.219999999999999 111.041 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 19.6 mt-10 -129.84 156.22 44.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 72.340000000000003 110.334 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.467 HD13 ' CD1' ' A' ' 143' ' ' LEU . 3.0 pt -128.82 123.04 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 74.109999999999999 109.332 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.45 ' HB3' ' CD2' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -91.99 175.17 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 63.219999999999999 109.307 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.521 ' HB ' ' CE2' ' A' ' 89' ' ' PHE . 5.7 tp -46.48 -25.0 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 74.409999999999997 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 3.8 mm-40 -81.92 -58.47 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 75.319999999999993 110.284 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 142' ' ' ALA . 20.9 mt-30 -64.6 -57.42 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 74.319999999999993 110.276 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.429 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 20.8 t80 -44.52 -44.48 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 74.230000000000004 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.536 ' CB ' HD23 ' A' ' 85' ' ' LEU . . . -56.98 -35.71 69.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 73.230000000000004 109.262 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.507 ' HB1' ' CB ' ' A' ' 128' ' ' VAL . . . -49.29 -48.0 46.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.439999999999998 109.26 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 135' ' ' ILE . 1.2 mt -59.71 -45.3 92.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 74.129999999999995 109.333 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.05 -6.15 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 71.319999999999993 109.29 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 t -134.02 41.55 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 74.129999999999995 110.004 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.39 81.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 73.219999999999999 109.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -120.18 54.01 0.67 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 72.439999999999998 111.032 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.2 m -117.3 -36.73 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 75.340000000000003 109.961 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 18.1 m -136.84 77.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 74.239999999999995 109.976 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 455' ' ' ARG . 50.0 p -120.21 -72.05 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 74.5 110.363 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 150' ' ' THR . . . 82.17 42.7 8.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 64.420000000000002 110.978 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.526 ' O ' ' CG2' ' A' ' 453' ' ' THR . 2.0 m 63.77 45.55 4.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 71.010000000000005 110.422 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -145.04 -59.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 75.0 110.306 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.475 ' HB2' ' CG2' ' A' ' 150' ' ' THR . 42.6 mmt-85 -68.29 -35.98 78.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 71.120000000000005 110.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -60.61 -16.66 40.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 72.140000000000001 109.311 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.84 -18.25 24.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 73.239999999999995 109.319 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.16 -47.62 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 72.510000000000005 109.282 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -73.94 -34.68 64.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 75.530000000000001 110.291 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 463' ' ' LEU . 9.1 t30 -58.42 -35.89 72.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.239999999999995 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.478 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -58.77 -27.13 64.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 75.239999999999995 109.33 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.56 HD11 ' CZ ' ' A' ' 92' ' ' PHE . 27.1 mt -89.57 -35.45 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 74.230000000000004 109.302 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 96.8 mt -47.35 -48.11 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 75.319999999999993 109.308 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.488 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -70.23 -56.3 7.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 75.409999999999997 109.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.473 HG23 ' CD1' ' A' ' 39' ' ' LEU . 10.3 mt -45.16 -26.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 75.319999999999993 109.341 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 88' ' ' ALA . . . -86.02 -72.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 70.540000000000006 109.275 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.464 ' CE ' ' HA ' ' A' ' 72' ' ' MET . 4.2 mtpp -46.83 -59.96 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 71.209999999999994 109.303 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.479 HG12 ' CZ ' ' A' ' 19' ' ' PHE . 98.4 t -42.47 -30.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 74.230000000000004 109.336 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 472' ' ' PHE . 7.4 t -82.95 -67.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 60.210000000000001 110.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.438 ' HD3' ' CG2' ' A' ' 474' ' ' VAL . 0.1 OUTLIER -40.64 -29.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 75.010000000000005 110.289 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.429 ' SD ' ' CD2' ' A' ' 71' ' ' LEU . 30.6 mtp -57.96 -47.06 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 73.340000000000003 111.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 46.6 t80 -58.71 -25.37 62.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 74.329999999999998 110.985 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 52.7 m -80.33 -15.09 57.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 109.995 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.438 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 58.5 t -96.71 -52.38 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 75.129999999999995 109.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -38.49 -34.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.322 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 73.209999999999994 110.269 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.018 -0.833 . . . . 72.329999999999998 111.018 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 p -127.21 96.01 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 74.200000000000003 110.032 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.66 151.74 41.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 72.099999999999994 109.995 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -137.1 58.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 62.549999999999997 109.283 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.41 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 1.3 mt -126.13 148.76 49.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.319999999999993 109.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.419 ' N ' ' HG3' ' A' ' 8' ' ' GLN . 4.9 p -77.91 166.1 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 74.549999999999997 110.411 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -53.83 -31.86 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.349999999999994 110.294 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -66.51 -27.25 67.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 74.319999999999993 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 5' ' ' THR . 2.7 mt-30 -83.41 -39.77 20.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 73.319999999999993 110.288 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.517 ' CG2' ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -60.99 -30.19 47.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 74.409999999999997 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -16.66 63.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 65.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 67.8 mt-10 -74.4 -68.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 75.129999999999995 110.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 72' ' ' MET . 43.5 m-85 -51.51 -20.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 75.299999999999997 110.967 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -50.81 -44.32 59.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 75.019999999999996 109.317 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -69.92 -53.54 17.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 64.200000000000003 110.318 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -50.91 -23.02 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 75.25 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 27' ' ' ILE . 9.2 t80 -78.58 -34.04 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 71.010000000000005 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.37 -16.54 64.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 73.439999999999998 109.271 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 36.7 mt -56.85 -37.51 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 71.030000000000001 109.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 38.4 m-85 -107.75 -45.9 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 73.219999999999999 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.501 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -58.12 86.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 73.409999999999997 109.296 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' PHE . 39.5 mmtt -58.55 -67.56 0.35 Allowed 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 123.627 1.68 . . . . 71.25 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -79.09 -21.28 46.93 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.903 -1.046 . . . . 75.0 109.991 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m120 71.81 57.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 72.140000000000001 109.327 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 21.6 p30 -93.24 -13.24 28.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 75.400000000000006 109.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.439 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 96.59 35.84 5.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 71.299999999999997 110.98 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -169.08 113.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 73.549999999999997 110.054 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 16' ' ' PHE . 26.5 mt -95.97 98.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 71.420000000000002 109.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.23 162.86 24.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 63.149999999999999 109.978 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.466 ' CB ' HG11 ' A' ' 48' ' ' VAL . 2.7 t -57.66 -16.96 12.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 75.450000000000003 110.033 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -25.24 29.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 110.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.499 ' O ' ' CG2' ' A' ' 34' ' ' THR . 38.1 mt-10 -90.53 -40.19 12.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 74.109999999999999 110.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' CD2' HG12 ' A' ' 48' ' ' VAL . 1.1 tt -62.97 -49.82 73.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 72.019999999999996 109.314 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -67.83 -12.63 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 75.230000000000004 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -71.82 -29.26 64.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 75.5 110.394 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.56 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.2 t -89.23 -61.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 72.420000000000002 109.298 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.408 ' N ' HG13 ' A' ' 35' ' ' VAL . 69.8 mtp -37.85 -52.74 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' SER . 5.2 ptm180 -62.38 -40.61 97.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 74.299999999999997 110.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' VAL . 15.5 m -60.83 -29.07 69.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 71.420000000000002 109.992 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.494 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 14.5 mt -76.32 -21.47 56.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 72.329999999999998 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.24 1.54 8.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 61.340000000000003 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 mt -81.25 -174.0 4.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 71.319999999999993 109.29 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.465 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 3.6 t -164.2 61.3 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 64.25 109.982 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' A' ' 42' ' ' SER . 18.4 Cg_endo -74.97 142.4 27.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 75.430000000000007 111.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m -87.45 140.43 29.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 74.329999999999998 109.947 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 17.5 tt0 -48.13 -28.12 2.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 75.420000000000002 110.291 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.67 -49.48 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 65.019999999999996 109.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.15 -51.34 12.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 73.450000000000003 110.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.466 HG11 ' CB ' ' A' ' 29' ' ' SER . 54.7 t -40.48 -34.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 73.230000000000004 109.26 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 89.1 m-20 -66.77 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 71.200000000000003 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -56.37 -17.82 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 73.310000000000002 109.301 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.502 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.6 tm? -76.62 -56.41 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 74.450000000000003 109.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 ptp -75.9 -14.23 60.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 62.229999999999997 111.002 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -83.93 -8.06 59.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 72.019999999999996 109.282 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.469 ' C ' ' CD1' ' A' ' 55' ' ' ILE . 7.8 mt-10 -93.36 -6.75 46.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 65.040000000000006 110.288 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.471 ' CG2' HD11 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -117.1 -48.16 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 72.409999999999997 109.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 2.1 t0 -39.87 120.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 64.420000000000002 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.8 t -88.58 -12.52 10.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 CA-C-O 123.616 1.674 . . . . 74.430000000000007 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 47.0 p-10 -117.71 -8.02 10.93 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.887 -1.054 . . . . 72.549999999999997 109.97 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.486 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 60.89 39.47 96.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 72.109999999999999 110.989 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.435 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 31.3 p-10 -91.64 24.55 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 75.329999999999998 109.291 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.637 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 58.9 t60 48.07 37.16 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 71.530000000000001 109.572 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 40.4 mt-30 -159.51 149.94 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 71.209999999999994 110.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.85 127.03 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 74.430000000000007 109.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.524 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 9.6 mt-10 -92.75 178.86 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 74.430000000000007 110.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.6 t80 -77.38 -13.29 59.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 73.140000000000001 110.999 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.4 p -91.99 -44.22 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 72.200000000000003 109.979 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -68.09 -55.75 11.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 74.540000000000006 110.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -49.42 -48.52 47.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 74.120000000000005 110.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -67.41 -32.95 74.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 72.230000000000004 109.297 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.45 -15.52 63.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 74.340000000000003 109.3 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.471 HD11 ' CG2' ' A' ' 55' ' ' ILE . 3.5 tt -79.65 -54.49 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 73.319999999999993 109.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.437 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.7 OUTLIER -52.96 -26.16 14.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 74.150000000000006 110.966 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -107.27 30.75 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 75.209999999999994 110.047 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.24 -50.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 75.230000000000004 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' LYS . 0.9 OUTLIER -50.11 -32.79 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 74.219999999999999 110.276 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.445 ' HA ' ' CB ' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -60.72 84.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 73.209999999999994 109.306 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -87.65 -71.15 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 75.209999999999994 109.329 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.9 m -135.32 -67.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 75.140000000000001 109.968 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.4 47.58 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 74.129999999999995 109.3 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.445 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -84.25 -58.86 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 74.329999999999998 109.329 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 p -39.39 -35.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 73.420000000000002 110.029 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -47.41 20.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 71.439999999999998 110.323 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.491 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 11.1 tp-100 -56.86 -56.31 23.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 74.510000000000005 110.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 11.0 pt-20 -48.63 -41.13 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 74.340000000000003 110.296 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.559 ' CD2' ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -64.93 -66.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 74.510000000000005 109.329 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -46.78 -28.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 72.340000000000003 109.3 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 83' ' ' GLN . 6.7 mm-40 -73.66 -49.99 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 91' ' ' VAL . . . -74.17 -12.79 60.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 72.340000000000003 109.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 85' ' ' LEU . 13.6 t80 -71.69 -49.64 37.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 65.420000000000002 110.975 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -77.43 -33.94 54.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 72.25 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -57.0 -49.19 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 65.030000000000001 109.337 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 2.6 m-85 -66.37 -38.24 87.12 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 123.625 1.678 . . . . 74.340000000000003 111.04 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.32 99.59 2.45 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 117.899 -1.048 . . . . 52.32 109.985 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -85.53 -32.95 21.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 75.450000000000003 109.287 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.23 -46.42 28.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 70.430000000000007 109.3 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.03 77.24 1.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.495 1.122 . . . . 73.140000000000001 111.012 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -140.17 10.87 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 74.329999999999998 109.271 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 68.95 20.57 74.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 64.439999999999998 110.989 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.0 mt -149.9 110.64 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 72.540000000000006 109.31 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.434 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 63.8 mt -76.21 103.82 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.2 p -72.29 176.96 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 70.420000000000002 109.979 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -46.32 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 70.519999999999996 109.261 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -40.76 -66.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 74.010000000000005 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 103' ' ' ALA . 41.3 mt-10 -38.26 -29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 71.230000000000004 110.286 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 103' ' ' ALA . 0.4 OUTLIER -93.44 -72.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 109.249 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.482 ' CG ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -47.62 -56.49 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 75.299999999999997 109.313 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -47.01 -40.32 14.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 64.120000000000005 109.634 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.584 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -68.48 -46.77 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 61.5 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.477 ' O ' ' CG1' ' A' ' 112' ' ' ILE . 1.2 mt -60.61 -28.71 68.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 73.120000000000005 109.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 10.6 m -81.99 -9.36 59.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 75.430000000000007 110.373 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.494 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -83.65 -12.47 55.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 72.349999999999994 109.952 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 109' ' ' LEU . 5.4 pt -97.74 -32.11 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 75.109999999999999 109.278 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 143.42 -37.11 1.5 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 73.329999999999998 111.022 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.475 ' CG ' ' HB3' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -58.25 174.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 74.310000000000002 110.312 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 1.7 pttp -151.83 128.7 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 74.340000000000003 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 8.2 mt -126.22 128.89 47.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 74.519999999999996 109.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.4 p -73.67 163.85 27.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 63.329999999999998 110.362 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 3.9 m-20 -54.07 -44.69 71.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 75.140000000000001 109.287 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.19 -21.29 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 74.230000000000004 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 116' ' ' LEU . 8.4 mm-40 -81.29 -64.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 73.430000000000007 110.341 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.518 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 1.0 OUTLIER -57.65 -50.62 76.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 74.019999999999996 109.307 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.518 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 14.7 t70 -54.8 -25.15 26.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 71.420000000000002 109.241 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.28 -25.45 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.340000000000003 109.305 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.437 ' HE3' ' CD1' ' A' ' 458' ' ' LEU . 38.0 ttm -72.23 -38.38 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.140000000000001 111.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 129' ' ' SER . 9.8 mt -65.14 -57.0 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 75.319999999999993 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.426 ' HA ' ' OG ' ' A' ' 129' ' ' SER . 34.5 mtt-85 -38.02 -29.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 75.349999999999994 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.7 mm-40 -48.26 -50.85 28.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.523 ' CB ' ' HB3' ' A' ' 142' ' ' ALA . 19.8 m -132.1 15.66 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 75.310000000000002 109.317 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 125' ' ' LEU . 38.3 p -105.45 4.88 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 75.219999999999999 109.982 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' SER . 26.4 t70 37.32 51.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 75.340000000000003 109.338 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 47.56 47.71 23.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 70.420000000000002 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' SER . 47.7 t -96.44 -69.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 71.230000000000004 109.982 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.43 -12.91 1.81 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 73.540000000000006 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.41 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 30.3 mt-10 -148.06 169.39 20.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 63.420000000000002 110.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.455 ' CD1' HD11 ' A' ' 143' ' ' LEU . 5.9 pt -137.6 130.52 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 74.200000000000003 109.353 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -99.32 -179.85 4.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 72.349999999999994 109.246 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.42 ' HB ' ' CE2' ' A' ' 89' ' ' PHE . 5.7 tp -49.69 -22.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 73.430000000000007 109.278 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -82.88 -56.03 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 73.430000000000007 110.314 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 26.3 mt-30 -68.52 -58.69 3.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 74.310000000000002 110.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 136' ' ' ASN . 12.5 t80 -43.3 -49.68 6.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 70.25 110.97 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.559 ' CB ' ' CD2' ' A' ' 85' ' ' LEU . . . -55.24 -35.28 64.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 73.140000000000001 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.523 ' HB3' ' CB ' ' A' ' 128' ' ' VAL . . . -52.53 -38.53 59.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 71.150000000000006 109.315 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.456 ' CD2' HG23 ' A' ' 128' ' ' VAL . 55.2 mt -57.6 -54.2 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 74.019999999999996 109.325 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 144' ' ' LEU . 0.6 OUTLIER -62.57 -13.55 32.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 71.109999999999999 109.27 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.66 55.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 74.120000000000005 109.973 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.74 89.17 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 74.230000000000004 109.266 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.47 52.78 0.76 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 74.430000000000007 110.969 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.6 m -107.7 -41.4 5.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 63.219999999999999 109.983 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.06 15.71 22.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 65.540000000000006 110.028 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.476 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 25.1 p -100.25 -167.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 73.140000000000001 110.402 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.4 ' C ' ' OG1' ' A' ' 453' ' ' THR . . . 174.61 -64.39 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.089 . . . . 61.409999999999997 110.994 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 151' ' ' GLY . 5.2 m -155.15 23.17 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 72.010000000000005 110.414 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -138.54 -48.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.409999999999997 110.295 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 11.3 mmt85 -78.37 -20.68 50.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 74.010000000000005 110.329 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.43 ' NZ ' ' OE2' ' A' ' 11' ' ' GLU . 4.9 ptmm? -74.49 -21.57 59.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 74.439999999999998 109.255 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -87.56 -19.71 27.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 71.329999999999998 109.247 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . 0.437 ' CD1' ' HE3' ' A' ' 124' ' ' MET . 0.2 OUTLIER -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 71.150000000000006 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -60.73 -30.22 69.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 75.299999999999997 110.297 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.48 ' HA ' ' CD1' ' A' ' 463' ' ' LEU . 11.1 t30 -61.82 -37.33 84.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 74.439999999999998 109.324 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.471 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -51.6 -28.99 15.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 61.450000000000003 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.564 HG22 ' CE1' ' A' ' 92' ' ' PHE . 13.5 mt -89.28 -39.66 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.140000000000001 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 94.8 mt -44.95 -44.51 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 73.349999999999994 109.349 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.429 ' O ' ' CG2' ' A' ' 468' ' ' VAL . . . -70.4 -55.76 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 72.310000000000002 109.33 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.461 HG22 ' CD1' ' A' ' 39' ' ' LEU . 15.2 mt -48.29 -24.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 72.230000000000004 109.316 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 469' ' ' SER . . . -86.02 -69.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 74.140000000000001 109.262 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 468' ' ' VAL . 17.9 mttt -43.95 -66.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.140000000000001 109.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 464' ' ' ALA . 6.3 m -39.28 -33.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 64.140000000000001 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 466' ' ' ALA . 1.1 t -69.61 -56.42 7.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 64.340000000000003 109.978 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.47 ' CD ' ' HB ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -54.08 -40.56 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 75.140000000000001 110.262 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.465 ' SD ' ' CD2' ' A' ' 71' ' ' LEU . 44.3 mtp -48.32 -29.12 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 65.510000000000005 110.958 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 46.6 t80 -89.03 -23.16 22.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 72.430000000000007 110.999 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 470' ' ' ARG . 1.0 OUTLIER -92.01 -2.33 56.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 70.150000000000006 109.978 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.47 ' HB ' ' CD ' ' A' ' 470' ' ' ARG . 13.0 p -109.51 -47.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 109.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 474' ' ' VAL . 0.1 OUTLIER -39.49 -34.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 73.530000000000001 109.283 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 75.049999999999997 110.307 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.017 -0.833 . . . . 75.349999999999994 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 m -112.2 148.63 33.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 70.510000000000005 109.977 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -124.73 161.26 26.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 72.409999999999997 110.005 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.18 16.98 9.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 73.120000000000005 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -104.89 146.84 28.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.319999999999993 109.315 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.2 p -96.49 160.16 14.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 74.25 110.412 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -40.97 -39.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 75.340000000000003 110.264 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.495 ' CD ' ' CG2' ' A' ' 453' ' ' THR . 13.0 tp10 -68.11 -44.56 75.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 71.120000000000005 110.278 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' THR . 27.5 mm100 -56.88 -33.62 67.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 74.329999999999998 110.347 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.442 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.9 mm -65.72 -22.09 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 109.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.18 -13.32 53.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 73.319999999999993 109.325 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 23.2 mt-10 -79.19 -62.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.219999999999999 110.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 4' ' ' LEU . 34.8 m-85 -53.98 -23.66 14.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 65.25 110.99 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.9 mttt -54.44 -41.35 69.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 74.109999999999999 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 17' ' ' ALA . 18.8 mm-40 -71.44 -55.88 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 73.409999999999997 110.304 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -50.56 -23.02 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 75.310000000000002 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.603 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 12.2 t80 -79.7 -33.11 41.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 71.420000000000002 110.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -67.33 -20.7 65.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 72.129999999999995 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 43.2 mt -50.73 -37.77 43.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 75.349999999999994 109.281 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' HB ' ' A' ' 35' ' ' VAL . 14.1 m-85 -107.61 -52.25 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 74.310000000000002 111.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.603 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -47.04 94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 71.299999999999997 109.315 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' PHE . 9.2 mmtp -69.84 -66.84 0.54 Allowed 'General case' 0 C--O 1.215 -0.75 0 CA-C-O 123.643 1.687 . . . . 73.219999999999999 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.92 -10.13 59.72 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.908 -1.044 . . . . 73.120000000000005 109.984 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m120 59.66 59.84 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 63.219999999999999 109.292 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -99.58 -17.06 18.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 72.430000000000007 109.314 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 97.57 39.8 3.82 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 60.549999999999997 110.998 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.69 111.75 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.781 . . . . 71.310000000000002 109.999 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.501 HD13 ' CE1' ' A' ' 16' ' ' PHE . 63.0 mt -97.41 97.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 72.329999999999998 109.316 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -66.32 163.09 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 64.129999999999995 109.978 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.531 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 1.4 t -56.15 -18.0 8.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 63.520000000000003 109.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -24.29 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 72.299999999999997 110.004 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -90.54 -28.65 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 74.439999999999998 110.349 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -77.23 -47.46 20.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 74.310000000000002 109.275 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -68.19 -12.47 61.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 74.140000000000001 109.347 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.423 ' CG2' ' CE ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.32 -25.35 63.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 73.140000000000001 110.435 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.574 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.0 t -91.35 -62.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 72.019999999999996 109.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.517 ' HE3' ' CG ' ' A' ' 472' ' ' PHE . 90.1 mtp -38.38 -50.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 73.409999999999997 110.979 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' A' ' 38' ' ' SER . 7.9 ptm180 -66.65 -39.18 88.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 75.230000000000004 110.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' VAL . 15.4 m -58.89 -24.56 62.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 73.310000000000002 110.006 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 16.0 mt -82.42 -19.69 38.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 74.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.99 2.93 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.145 . . . . 70.540000000000006 110.987 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 HD12 ' CA ' ' A' ' 36' ' ' MET . 15.5 mt -80.93 -176.19 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 73.25 109.255 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 70.7 m -162.44 61.43 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 73.319999999999993 110.016 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.0 145.25 31.19 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 65.040000000000006 111.022 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -90.56 140.46 29.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 64.019999999999996 109.976 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.3 tt0 -45.08 -28.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 73.109999999999999 110.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.58 -49.03 76.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 55.100000000000001 109.296 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -51.35 11.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.530000000000001 110.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 43' ' ' PRO . 54.4 t -40.35 -38.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 75.239999999999995 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 91.1 m-20 -63.47 -63.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 71.219999999999999 109.288 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -57.4 -17.31 12.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 72.530000000000001 109.281 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.484 HD11 ' CE ' ' A' ' 471' ' ' MET . 0.2 OUTLIER -78.41 -51.59 9.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 73.109999999999999 109.312 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.431 ' CE ' ' O ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -80.99 -11.68 59.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 74.200000000000003 110.943 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ASN . 5.9 m-80 -88.13 -7.62 56.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 63.109999999999999 109.28 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -90.69 -7.43 52.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 73.340000000000003 110.283 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 71' ' ' LEU . 5.0 mm -117.72 -48.01 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 75.319999999999993 109.272 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 1.2 t0 -39.08 114.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.9 t -78.79 -7.05 10.09 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 CA-C-O 123.639 1.685 . . . . 74.120000000000005 109.313 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -123.64 -21.2 5.29 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 117.909 -1.043 . . . . 75.540000000000006 110.009 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.28 52.81 24.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 53.130000000000003 110.981 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 34.9 p-10 -100.97 13.03 36.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 73.420000000000002 109.274 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.644 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 51.3 t60 66.07 28.4 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 73.049999999999997 109.576 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 44.1 mt-30 -156.69 147.96 22.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 75.439999999999998 110.291 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.8 129.1 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.010000000000005 109.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.426 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -95.3 173.06 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 64.349999999999994 110.318 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.556 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.9 t80 -71.0 -12.98 61.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 75.349999999999994 110.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 t -92.3 -41.41 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 72.409999999999997 110.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' OE2' ' OD2' ' A' ' 58' ' ' ASP . 29.7 mt-10 -70.85 -48.76 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 73.549999999999997 110.328 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -57.13 -41.44 79.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 73.140000000000001 110.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -72.59 -33.19 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 72.140000000000001 109.326 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.46 -15.94 60.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.569 ' CD1' ' CG ' ' A' ' 75' ' ' GLN . 18.5 tp -72.56 -51.17 20.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 73.430000000000007 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.429 ' CE ' ' CD ' ' A' ' 467' ' ' LYS . 3.3 mmt -55.38 -32.42 62.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 72.140000000000001 111.004 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 t -89.78 18.4 5.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 74.409999999999997 109.971 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.1 21.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.319999999999993 110.344 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.569 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -113.78 -28.61 7.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 70.439999999999998 110.274 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.432 ' HA ' ' CB ' ' A' ' 80' ' ' ASP . 3.1 mt -45.74 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 62.240000000000002 109.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt 55.86 19.18 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 74.450000000000003 109.307 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.5 t 58.85 16.22 4.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 65.420000000000002 109.996 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -125.02 1.62 7.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 73.25 109.332 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.9 t70 -98.17 -64.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 73.019999999999996 109.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.3 t -39.58 -28.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 74.319999999999993 109.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.46 ' N ' ' C ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -90.3 -43.09 10.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 71.109999999999999 110.295 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' LEU . 4.3 mm-40 -78.44 -62.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 73.25 110.315 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -38.04 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 71.150000000000006 110.329 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.481 ' CD1' ' HB1' ' A' ' 141' ' ' ALA . 7.0 mt -66.99 -65.6 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 71.310000000000002 109.304 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 pp -57.58 -46.99 83.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 73.540000000000006 109.357 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.526 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 31.0 mm-40 -52.6 -44.05 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 74.400000000000006 110.279 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.463 ' HB1' ' CB ' ' A' ' 466' ' ' ALA . . . -80.7 -23.71 39.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 75.120000000000005 109.306 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' LEU . 9.1 t80 -67.46 -64.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 72.140000000000001 111.012 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -60.54 -34.55 74.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 71.439999999999998 109.326 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 2.3 t -58.24 -56.44 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 74.439999999999998 109.297 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.5 m-85 -63.75 -43.01 97.71 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.638 1.685 . . . . 75.230000000000004 111.044 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.63 98.8 1.97 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.953 -1.022 . . . . 74.120000000000005 109.949 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -30.02 21.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 72.450000000000003 109.301 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -78.23 -43.51 28.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 72.239999999999995 109.292 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.44 78.88 1.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 110.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.41 11.11 2.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 71.430000000000007 109.313 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.472 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 69.15 17.74 72.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.445 1.091 . . . . 74.219999999999999 110.963 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.472 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.4 mt -149.57 112.68 4.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 0.78 . . . . 74.239999999999995 109.339 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.453 HD12 ' CB ' ' A' ' 92' ' ' PHE . 61.9 mt -79.24 105.33 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 74.140000000000001 109.277 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.6 t -70.06 -176.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 109.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -54.78 -67.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 74.349999999999994 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.466 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -42.08 -65.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 62.25 109.259 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' ALA . 36.7 mt-10 -38.78 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 71.209999999999994 110.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 102' ' ' ALA . 2.7 tp -90.46 -72.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 74.140000000000001 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.476 ' HG2' ' CG2' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -46.23 -59.31 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 71.329999999999998 109.298 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.26 -38.27 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 109.576 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.568 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -73.36 -38.85 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 62.32 109.248 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 106' ' ' LYS . 1.9 mt -67.38 -25.26 65.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 109.341 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 m -86.6 -10.42 53.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 64.420000000000002 110.404 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.482 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -84.67 -1.67 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 71.329999999999998 109.992 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.498 ' CD1' ' CG ' ' A' ' 461' ' ' LYS . 8.3 pt -112.53 -32.91 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 71.530000000000001 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.36 -32.25 1.38 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 50.399999999999999 111.006 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -56.62 173.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 65.450000000000003 110.299 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -159.36 116.13 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 72.109999999999999 109.313 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.469 HD13 ' CE ' ' A' ' 124' ' ' MET . 41.8 mt -127.68 137.51 52.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 74.230000000000004 109.3 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 120' ' ' GLU . 25.2 p -69.58 151.31 46.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 75.319999999999993 110.396 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -51.59 -23.67 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 72.510000000000005 109.319 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.32 -31.3 21.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 61.549999999999997 109.283 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 117' ' ' THR . 12.9 mm-40 -75.15 -28.5 60.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 75.540000000000006 110.258 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 106' ' ' LYS . 9.2 p -84.81 -53.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 71.099999999999994 109.291 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.459 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 7.4 t0 -49.47 -22.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 71.219999999999999 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 121' ' ' VAL . 4.1 t70 -90.86 -32.51 16.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 64.319999999999993 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.469 ' CE ' HD13 ' A' ' 116' ' ' LEU . 27.9 ttm -60.64 -33.39 72.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 127' ' ' GLU . 0.3 OUTLIER -69.33 -53.8 17.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 75.109999999999999 109.323 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 125' ' ' LEU . 17.2 mtt180 -35.18 -33.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 73.109999999999999 110.274 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.9 mm-40 -41.99 -50.73 4.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 73.400000000000006 110.276 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.49 ' CB ' ' HB1' ' A' ' 142' ' ' ALA . 34.2 m -132.79 10.51 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 73.219999999999999 109.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.2 p -95.34 10.99 34.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 73.140000000000001 110.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.0 t70 45.74 39.14 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 74.549999999999997 109.264 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.2 35.05 91.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 74.549999999999997 110.975 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' SER . 89.9 p -95.06 -80.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 74.439999999999998 110.002 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.56 -22.14 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 42.25 111.0 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 25.5 mt-10 -117.85 176.66 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 75.120000000000005 110.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.436 ' HB ' ' N ' ' A' ' 140' ' ' PHE . 2.5 pt -149.91 121.73 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.549999999999997 109.344 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 138' ' ' GLN . 0.2 OUTLIER -87.46 174.81 8.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 73.239999999999995 109.304 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 85' ' ' LEU . 5.3 tp -47.42 -24.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.319999999999993 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.42 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 3.7 mm-40 -83.95 -57.66 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 75.219999999999999 110.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 23.0 mt-30 -62.77 -56.07 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 73.329999999999998 110.276 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.436 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 38.4 t80 -43.1 -48.91 6.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 75.129999999999995 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.481 ' HB1' ' CD1' ' A' ' 85' ' ' LEU . . . -61.96 -32.79 73.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 73.219999999999999 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 146' ' ' LYS . . . -48.84 -44.35 39.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 54.009999999999998 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.425 HD12 ' CG2' ' A' ' 128' ' ' VAL . 0.7 OUTLIER -57.33 -41.51 80.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 75.319999999999993 109.319 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.58 -20.67 62.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 73.329999999999998 109.302 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 142' ' ' ALA . 3.5 m -134.86 54.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 74.0 109.967 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 142' ' ' ALA . 0.1 OUTLIER -177.25 113.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 72.319999999999993 109.308 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -142.72 77.14 0.29 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 54.219999999999999 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 10.2 t -72.01 -54.41 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 0.725 . . . . 62.340000000000003 109.953 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.1 m -90.69 36.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 74.140000000000001 109.989 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.42 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 11.9 p -121.96 -175.99 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 61.119999999999997 110.406 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 174.93 -66.26 0.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.47 1.106 . . . . 65.109999999999999 110.965 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.495 ' CG2' ' CD ' ' A' ' 7' ' ' GLU . 2.5 m -149.72 20.12 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 74.439999999999998 110.356 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.52 -47.05 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 110.309 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.42 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 14.0 mmt180 -81.14 -23.81 38.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 74.409999999999997 110.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 453' ' ' THR . 0.2 OUTLIER -57.81 -26.36 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 70.450000000000003 109.337 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -85.47 -19.98 30.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.409999999999997 109.289 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -52.8 58.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.439999999999998 109.3 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.425 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 2.4 ptp85 -66.77 -25.81 66.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 72.299999999999997 110.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 11' ' ' GLU . 14.8 t30 -67.83 -29.9 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 54.130000000000003 109.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.498 ' CG ' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -56.45 -27.0 55.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 74.140000000000001 109.287 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.481 HG23 ' CE1' ' A' ' 92' ' ' PHE . 8.6 mt -88.77 -32.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.5 109.258 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -43.53 50.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 74.120000000000005 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . . . . . . . . . . . -70.33 -61.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 75.230000000000004 109.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.473 ' CD1' HG22 ' A' ' 112' ' ' ILE . 22.9 mt -47.92 -24.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 75.040000000000006 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.463 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . . . -83.24 -71.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.092 . . . . 75.510000000000005 109.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 470' ' ' ARG . 16.8 mttp -51.85 -63.05 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 73.049999999999997 109.308 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 467' ' ' LYS . 58.4 t -38.75 -44.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 72.109999999999999 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 16.8 t -66.69 -46.88 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 75.230000000000004 110.035 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.5 tmt_? -55.2 -43.79 74.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 110.288 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.484 ' CE ' HD11 ' A' ' 51' ' ' LEU . 5.0 mtm -46.8 -23.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 74.430000000000007 111.005 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 7.2 t80 -88.51 -30.45 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 65.200000000000003 110.993 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 470' ' ' ARG . 3.6 t -85.15 -2.32 57.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 61.109999999999999 110.017 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.422 HG21 ' NH1' ' A' ' 470' ' ' ARG . 10.8 p -111.05 -48.89 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 74.140000000000001 109.317 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.45 -36.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 73.450000000000003 109.308 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 74.519999999999996 110.289 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.013 -0.835 . . . . 70.299999999999997 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t -44.66 111.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 72.349999999999994 109.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -121.65 144.67 48.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 74.530000000000001 110.024 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -135.49 69.5 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 70.310000000000002 109.305 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.455 HD12 ' CE2' ' A' ' 12' ' ' PHE . 2.9 mt -113.73 178.77 4.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 72.150000000000006 109.29 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p -123.71 166.16 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 71.319999999999993 110.424 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -52.13 -33.65 40.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 75.540000000000006 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.72 -27.19 63.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 73.439999999999998 110.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -75.4 -39.28 59.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.030000000000001 110.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.638 ' CG2' ' CZ ' ' A' ' 65' ' ' PHE . 1.7 mm -63.75 -21.33 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 73.439999999999998 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.29 -12.61 60.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 75.409999999999997 109.257 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 5.8 mm-40 -84.53 -70.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 71.120000000000005 110.315 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' CE2' HD12 ' A' ' 4' ' ' LEU . 63.9 m-85 -40.67 -28.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 74.109999999999999 111.01 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mttt -47.37 -48.53 25.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 74.109999999999999 109.324 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -58.04 -37.07 73.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 75.439999999999998 110.321 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.476 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -72.47 -15.44 61.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 72.439999999999998 109.272 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.9 t80 -82.54 -37.05 25.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 73.450000000000003 111.014 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -21.02 66.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 75.209999999999994 109.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 54.1 mt -49.09 -42.67 39.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 75.430000000000007 109.32 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.54 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 18.6 m-85 -106.5 -51.44 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 72.400000000000006 111.025 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.582 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.78 92.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 64.319999999999993 109.272 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' PHE . 41.3 mmtt -70.52 -65.06 0.78 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.633 1.682 . . . . 74.519999999999996 109.316 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -75.91 -6.17 49.58 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 117.905 -1.045 . . . . 71.219999999999999 109.962 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 49.24 56.91 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 73.400000000000006 109.294 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 17.0 p-10 -90.06 -20.93 22.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 65.439999999999998 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.14 30.34 3.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 73.099999999999994 111.025 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.77 111.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 74.5 110.002 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.566 HD12 ' CE1' ' A' ' 16' ' ' PHE . 47.4 mt -86.56 107.81 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 75.25 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 p -67.37 172.34 5.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 72.129999999999995 109.999 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.474 ' CB ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -72.53 -34.24 67.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 64.349999999999994 110.03 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -20.44 61.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 71.299999999999997 109.996 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 34' ' ' THR . 46.3 mt-10 -90.71 -46.33 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 75.019999999999996 110.276 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' CD2' HG12 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -59.26 -41.87 89.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.25 109.345 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -72.59 -12.32 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 109.336 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -70.35 -30.45 67.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 74.129999999999995 110.384 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.54 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -87.62 -55.89 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 73.439999999999998 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.411 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 68.2 mtp -38.73 -56.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 75.219999999999999 111.004 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 5.3 ptp180 -62.82 -35.12 78.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 73.239999999999995 110.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -55.85 -36.79 67.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 71.049999999999997 110.035 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 HD12 ' CG2' ' A' ' 465' ' ' ILE . 11.6 mt -71.63 -19.12 62.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 61.350000000000001 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.34 5.8 9.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.548 1.155 . . . . 64.010000000000005 110.968 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.0 mt -81.53 -174.48 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 74.310000000000002 109.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.463 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 20.1 t -163.32 61.41 1.03 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 64.219999999999999 110.036 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.99 147.91 34.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 64.129999999999995 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -91.91 140.46 29.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 61.399999999999999 110.025 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.3 tt0 -46.22 -28.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 75.129999999999995 110.274 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.83 77.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 65.109999999999999 109.292 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.5 mm-40 -75.2 -51.36 13.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 75.530000000000001 110.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.474 HG11 ' CB ' ' A' ' 29' ' ' SER . 51.8 t -40.59 -39.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 74.310000000000002 109.298 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 93.0 m-20 -65.02 -61.36 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 75.209999999999994 109.312 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -15.14 11.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 73.019999999999996 109.26 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -78.22 -55.94 4.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 75.530000000000001 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.436 ' CE ' ' HA ' ' A' ' 62' ' ' GLN . 8.0 ptm -77.75 -14.59 59.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 111.032 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 8.0 m-20 -82.55 -9.81 59.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 75.510000000000005 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -85.7 -12.84 50.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 72.349999999999994 110.3 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.438 ' CG2' ' HB2' ' A' ' 71' ' ' LEU . 1.9 mm -117.52 -38.25 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 70.120000000000005 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.2 t0 -37.37 114.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 72.230000000000004 109.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 89.5 t -90.27 -17.32 8.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 123.642 1.687 . . . . 63.520000000000003 109.364 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 47.4 p-10 -109.57 -6.17 15.47 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.892 -1.051 . . . . 62.340000000000003 109.965 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.69 42.41 77.63 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 73.140000000000001 111.045 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.405 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 39.9 p-10 -97.25 12.37 33.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 72.299999999999997 109.327 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.67 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 29.8 t60 64.97 30.65 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 72.409999999999997 109.648 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 38.9 mt-30 -150.48 -177.77 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 74.310000000000002 110.322 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.14 126.45 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 72.019999999999996 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.07 175.29 6.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 75.25 110.319 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.638 ' CZ ' ' CG2' ' A' ' 9' ' ' ILE . 4.6 t80 -75.93 -10.57 59.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.040000000000006 111.033 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.533 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 58.7 m -95.16 -28.75 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 74.329999999999998 109.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.476 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 11.1 mt-10 -87.82 -48.62 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 74.099999999999994 110.259 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -59.05 -43.06 91.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 72.310000000000002 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -70.16 -24.64 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 75.299999999999997 109.338 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.568 ' N ' ' CD1' ' A' ' 69' ' ' LEU . . . -86.13 -15.38 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 65.25 109.339 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.494 ' CD1' ' CG ' ' A' ' 75' ' ' GLN . 8.9 tp -71.31 -50.09 36.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 71.310000000000002 109.277 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -56.55 -16.76 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 70.400000000000006 110.993 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -100.98 -16.39 17.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 65.340000000000003 109.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -117.67 53.65 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.340000000000003 110.313 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.494 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -144.49 -64.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 110.311 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.457 ' HB3' ' CG ' ' A' ' 80' ' ' ASP . 4.0 mp -65.69 133.57 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 75.109999999999999 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -117.41 -87.41 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 75.239999999999995 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.1 t -78.31 -90.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 71.120000000000005 109.992 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.43 ' HB2' ' CB ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -72.06 68.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 72.420000000000002 109.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.457 ' CG ' ' HB3' ' A' ' 76' ' ' LEU . 33.9 m-20 -48.07 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.230000000000004 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.8 t -37.54 -60.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 75.319999999999993 110.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' CB ' ' HB2' ' A' ' 79' ' ' ASN . 1.9 mt-10 -36.67 -46.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 74.200000000000003 110.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.429 ' HG2' ' ND2' ' A' ' 79' ' ' ASN . 2.1 mm-40 -62.48 -61.68 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 65.450000000000003 110.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 81' ' ' SER . 0.3 OUTLIER -61.12 -11.71 9.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.150000000000006 110.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.529 ' CD1' ' CD2' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -84.09 -61.83 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 75.430000000000007 109.319 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.69 -35.46 74.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 74.409999999999997 109.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.524 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 28.3 mm-40 -66.56 -36.54 82.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 72.129999999999995 110.33 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.406 ' HB3' ' CB ' ' A' ' 466' ' ' ALA . . . -90.18 -12.87 36.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 74.099999999999994 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' LEU . 16.6 t80 -75.69 -63.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 75.310000000000002 110.988 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -10.0 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.219999999999999 109.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 1.8 t -84.0 -47.28 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 74.439999999999998 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 3.9 m-85 -73.93 -38.51 64.26 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.596 1.665 . . . . 74.430000000000007 111.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.12 102.18 4.83 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.928 -1.034 . . . . 72.409999999999997 110.0 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.08 -32.83 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 109.269 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.99 -44.51 30.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.219999999999999 109.288 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.58 75.92 1.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 74.450000000000003 111.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.437 ' HB3' ' OD1' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -130.63 4.69 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 71.120000000000005 109.297 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.11 6.09 89.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 61.049999999999997 110.96 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 136' ' ' ASN . 1.4 mt -142.31 121.32 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 63.109999999999999 109.277 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 92' ' ' PHE . 53.9 mt -83.71 107.09 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 72.230000000000004 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.4 t -70.13 174.29 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 71.310000000000002 110.023 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -50.91 -66.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 75.150000000000006 109.256 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.488 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -43.77 -64.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 75.239999999999995 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE1' ' HB3' ' A' ' 95' ' ' ASN . 79.3 mt-10 -41.03 -25.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 75.209999999999994 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.469 ' N ' ' C ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -94.46 -73.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 75.120000000000005 109.325 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.488 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -42.69 -56.45 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 71.299999999999997 109.323 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -48.63 -36.66 16.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.595 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.554 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -73.04 -42.11 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 72.439999999999998 109.252 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.408 HD13 ' CB ' ' A' ' 114' ' ' GLU . 1.1 mm? -61.07 -34.91 75.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 75.549999999999997 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -76.16 -30.37 58.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 73.450000000000003 110.371 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -14.24 29.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 70.049999999999997 109.974 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.466 ' CD1' HD22 ' A' ' 18' ' ' LEU . 16.7 pt -110.63 -33.15 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 75.230000000000004 109.323 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.22 -39.16 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.455 1.097 . . . . 75.519999999999996 111.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.408 ' CB ' HD13 ' A' ' 109' ' ' LEU . 20.9 mm-40 -50.28 114.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 72.209999999999994 110.318 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -113.28 97.99 6.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 72.400000000000006 109.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.472 ' CD2' ' HE1' ' A' ' 124' ' ' MET . 5.5 mp -113.13 142.69 45.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLU . 20.9 p -70.85 148.24 48.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 62.329999999999998 110.388 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -43.84 -29.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 64.430000000000007 109.318 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 117' ' ' THR . . . -80.25 -46.73 15.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 73.219999999999999 109.26 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 117' ' ' THR . 45.8 mm-40 -55.02 -45.33 75.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 74.219999999999999 110.342 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 7.6 p -72.64 -53.63 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 109.259 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.461 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 8.0 t70 -49.32 -23.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 74.329999999999998 109.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 121' ' ' VAL . 1.5 t70 -90.92 -33.92 15.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 73.120000000000005 109.281 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.472 ' HE1' ' CD2' ' A' ' 116' ' ' LEU . 27.1 ttm -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 75.239999999999995 110.97 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 127' ' ' GLU . 6.1 mt -70.0 -52.14 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.549999999999997 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.429 ' HA ' ' OG ' ' A' ' 129' ' ' SER . 34.7 mtt180 -36.99 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 110.318 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 125' ' ' LEU . 51.1 mt-10 -46.54 -50.63 16.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 71.010000000000005 110.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.497 ' CB ' ' HB3' ' A' ' 142' ' ' ALA . 21.1 m -132.82 14.98 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 73.150000000000006 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.4 p -99.12 -13.61 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 64.420000000000002 110.011 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 46.3 t0 59.05 24.97 13.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 64.230000000000004 109.314 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.82 -5.78 60.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 63.100000000000001 110.999 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' A' ' 133' ' ' GLY . 24.0 p -45.91 -68.61 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 74.209999999999994 110.004 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.484 ' N ' ' OG ' ' A' ' 132' ' ' SER . . . 138.27 -7.84 3.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 73.420000000000002 111.011 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.452 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 23.3 mt-10 -147.39 158.24 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 70.200000000000003 110.3 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.447 HD12 ' CD1' ' A' ' 143' ' ' LEU . 4.0 pt -125.39 122.48 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 74.120000000000005 109.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.447 ' HB3' ' CD2' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.12 177.63 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 72.519999999999996 109.292 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.434 HD12 ' CG ' ' A' ' 89' ' ' PHE . 8.8 tp -49.56 -22.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 136' ' ' ASN . 2.8 mm-40 -84.61 -56.87 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 64.439999999999998 110.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.468 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 25.5 mt-30 -66.01 -57.26 8.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 73.329999999999998 110.296 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.529 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 17.2 t80 -44.74 -46.11 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 64.230000000000004 110.998 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.82 -33.35 70.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 53.109999999999999 109.305 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.497 ' HB3' ' CB ' ' A' ' 128' ' ' VAL . . . -51.82 -43.43 63.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 71.439999999999998 109.26 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.447 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.4 mt -64.0 -45.71 87.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 72.099999999999994 109.346 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.476 ' CD1' HD23 ' A' ' 85' ' ' LEU . 7.9 mt -70.9 -6.98 42.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 73.409999999999997 109.25 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 m -145.66 49.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 75.319999999999993 109.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 142' ' ' ALA . 7.5 tptm -90.3 -80.55 0.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 72.329999999999998 109.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.21 72.63 0.79 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.13 . . . . 75.450000000000003 111.017 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.4 p -155.68 129.79 8.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 70.200000000000003 109.971 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 12.6 m 39.66 59.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 73.530000000000001 110.013 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.484 ' CG2' ' HB2' ' A' ' 455' ' ' ARG . 27.2 p -106.61 -64.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 73.430000000000007 110.404 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 453' ' ' THR . . . 68.98 26.87 74.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 64.219999999999999 110.989 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 151' ' ' GLY . 1.4 m 83.04 30.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 70.420000000000002 110.387 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 -124.36 -41.62 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 75.310000000000002 110.301 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.484 ' HB2' ' CG2' ' A' ' 150' ' ' THR . 49.2 mmt-85 -89.55 -34.81 16.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 110.339 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.525 ' CB ' ' NH2' ' A' ' 459' ' ' ARG . 0.0 OUTLIER -61.32 -17.81 55.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.030000000000001 109.29 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.88 -15.87 27.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 73.530000000000001 109.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -45.37 70.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 74.099999999999994 109.267 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.525 ' NH2' ' CB ' ' A' ' 456' ' ' LYS . 1.3 ptp85 -74.08 -26.24 60.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 73.230000000000004 110.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.472 ' HA ' ' CD1' ' A' ' 463' ' ' LEU . 10.1 t30 -62.14 -34.3 76.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 75.239999999999995 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.447 ' HG3' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -60.03 -26.4 66.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 75.519999999999996 109.313 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.462 HD13 ' CZ ' ' A' ' 92' ' ' PHE . 15.8 mt -89.65 -37.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 74.010000000000005 109.345 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 93.0 mt -42.41 -46.73 4.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 75.340000000000003 109.254 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.477 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -70.46 -59.71 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 75.319999999999993 109.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.472 ' CG2' HD12 ' A' ' 39' ' ' LEU . 90.1 mt -39.29 -31.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 65.299999999999997 109.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 469' ' ' SER . . . -85.98 -70.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 71.150000000000006 109.271 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 469' ' ' SER . 6.5 mttp -42.93 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 74.109999999999999 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 464' ' ' ALA . 4.5 m -38.49 -31.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 72.230000000000004 109.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -77.6 -52.86 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 74.209999999999994 110.027 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -53.41 -42.9 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.308 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.486 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 4.7 mtp -49.46 -22.46 1.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 61.229999999999997 111.017 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 11.0 t80 -90.13 -26.79 20.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 74.510000000000005 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 470' ' ' ARG . 0.9 OUTLIER -90.75 -3.42 57.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 70.010000000000005 109.968 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.438 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 8.8 p -106.52 -49.76 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 74.310000000000002 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.81 -36.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.140000000000001 109.311 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 110.304 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.024 -0.83 . . . . 64.409999999999997 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.7 m -107.47 -178.58 3.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 73.430000000000007 110.0 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 p -39.39 117.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 72.349999999999994 109.958 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -89.15 44.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 74.349999999999994 109.295 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.543 HD11 ' CE2' ' A' ' 12' ' ' PHE . 2.5 mt -122.8 155.37 36.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 75.400000000000006 109.261 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.6 p -106.24 161.96 14.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 74.439999999999998 110.393 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -47.54 -29.71 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 75.140000000000001 110.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.82 -33.68 57.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 73.109999999999999 110.252 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' THR . 26.2 mm100 -69.41 -37.13 77.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 73.099999999999994 110.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.636 ' CG2' ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -63.19 -20.29 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.239999999999995 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.03 -15.48 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 73.319999999999993 109.279 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 34.2 mt-10 -81.36 -62.06 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 70.120000000000005 110.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.543 ' CE2' HD11 ' A' ' 4' ' ' LEU . 62.9 m-85 -51.35 -19.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 73.409999999999997 111.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.3 mttt -56.15 -46.26 79.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 72.040000000000006 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' CD ' ' CB ' ' A' ' 457' ' ' ALA . 13.3 mt-10 -57.82 -31.13 66.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 74.040000000000006 110.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.47 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -77.52 -16.27 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 71.310000000000002 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CE1' HD11 ' A' ' 27' ' ' ILE . 16.4 t80 -83.75 -34.46 24.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 55.219999999999999 110.994 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.86 -19.48 65.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 65.120000000000005 109.255 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 47.0 mt -52.31 -38.62 59.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 72.099999999999994 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 26.4 m-85 -106.45 -51.82 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 72.409999999999997 110.999 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -51.01 92.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 75.209999999999994 109.251 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' PHE . 24.2 mmtt -68.58 -67.68 0.45 Allowed 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 123.665 1.698 . . . . 71.540000000000006 109.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -76.23 -15.24 60.07 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.901 -1.047 . . . . 71.329999999999998 109.983 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 62.62 63.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 75.439999999999998 109.299 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.7 p30 -97.16 -15.64 20.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 55.219999999999999 109.293 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 100.16 31.64 5.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 63.109999999999999 111.057 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.34 111.67 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 74.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.561 HD11 ' CE1' ' A' ' 16' ' ' PHE . 31.8 mt -89.11 104.72 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 72.329999999999998 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -69.56 179.68 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.239999999999995 109.96 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.415 ' N ' ' HE2' ' A' ' 52' ' ' MET . 0.1 OUTLIER -70.29 -37.25 74.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 73.019999999999996 109.991 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -19.34 62.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 73.030000000000001 109.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.507 ' O ' ' CG2' ' A' ' 34' ' ' THR . 34.5 mt-10 -90.48 -47.71 7.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 74.109999999999999 110.269 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' CD2' HG13 ' A' ' 48' ' ' VAL . 3.4 tt -59.41 -50.4 74.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 74.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.408 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -66.13 -12.42 55.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 74.519999999999996 109.275 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -70.43 -27.52 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 73.420000000000002 110.364 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.571 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -90.25 -53.95 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 71.129999999999995 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.439 ' CE ' HD13 ' A' ' 41' ' ' LEU . 81.5 mmm -42.0 -51.08 4.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.329999999999998 111.026 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' SER . 16.9 ptp180 -65.44 -40.27 93.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 73.5 110.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 72.5 m -54.73 -29.42 53.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 74.519999999999996 109.998 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.49 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 14.0 mt -81.46 -21.85 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 72.209999999999994 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.01 3.35 8.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 75.420000000000002 111.017 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.439 HD13 ' CE ' ' A' ' 36' ' ' MET . 16.5 mt -78.7 -175.72 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 74.239999999999995 109.273 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.467 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.3 t -162.56 61.1 1.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.040000000000006 110.001 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.03 142.71 28.1 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 75.329999999999998 111.001 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.99 141.85 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 73.120000000000005 109.953 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 36.6 tt0 -44.48 -30.08 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 75.420000000000002 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.99 -50.55 73.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 74.340000000000003 109.291 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.41 -51.33 10.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 70.549999999999997 110.28 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 43' ' ' PRO . 73.0 t -40.61 -34.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 74.400000000000006 109.284 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.443 ' OD1' ' NE2' ' A' ' 61' ' ' HIS . 88.0 m-20 -66.17 -66.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.150000000000006 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -54.09 -18.8 4.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 73.340000000000003 109.272 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -76.09 -55.67 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 72.120000000000005 109.338 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.415 ' HE2' ' N ' ' A' ' 29' ' ' SER . 10.4 ptm -79.95 -8.17 59.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 73.329999999999998 111.017 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 3.1 m-80 -88.21 -8.26 55.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 74.319999999999993 109.324 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.497 ' C ' ' CD1' ' A' ' 55' ' ' ILE . 1.3 mt-10 -92.99 -9.13 41.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 55.32 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.533 ' CD1' ' N ' ' A' ' 55' ' ' ILE . 0.6 OUTLIER -114.85 -43.7 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 74.329999999999998 109.313 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.485 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 6.4 t0 -37.6 113.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 73.439999999999998 109.298 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.441 ' CG1' ' HG2' ' A' ' 67' ' ' GLU . 2.1 p -93.96 -26.69 4.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-O 123.645 1.688 . . . . 65.510000000000005 109.278 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 55.1 p30 -94.86 -9.8 33.24 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.937 -1.03 . . . . 73.109999999999999 109.996 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 63.85 38.99 96.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 63.229999999999997 110.972 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.485 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 33.6 p-10 -101.16 21.3 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 75.310000000000002 109.331 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 59.2 t-80 51.49 43.85 29.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 70.430000000000007 109.573 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 41.5 mt-30 -159.06 179.79 8.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 75.400000000000006 110.265 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.16 124.48 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.310000000000002 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 10.7 mt-10 -96.48 174.48 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.439999999999998 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.636 ' CZ ' ' CG2' ' A' ' 9' ' ' ILE . 2.9 t80 -75.39 -11.57 60.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 75.120000000000005 111.041 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 8.6 t -91.07 -32.57 15.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 72.150000000000006 109.981 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HG2' ' CG1' ' A' ' 57' ' ' VAL . 6.1 mt-10 -85.5 -47.57 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 110.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -58.66 -43.53 89.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 74.219999999999999 111.028 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -74.28 -21.4 59.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 74.540000000000006 109.313 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.574 ' N ' ' CD1' ' A' ' 69' ' ' LEU . . . -84.53 -15.45 45.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 72.109999999999999 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.503 ' HG ' ' CG ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -76.97 -53.62 7.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 72.239999999999995 109.272 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.493 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -46.81 -22.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 111.004 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -114.17 37.93 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 64.239999999999995 109.999 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LEU . 4.5 ttt-85 -144.11 -48.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 110.259 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.503 ' CG ' ' HG ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -59.02 -73.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 72.5 110.32 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.476 ' CD1' ' HE3' ' A' ' 467' ' ' LYS . 1.6 mp -44.57 135.08 5.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 73.430000000000007 109.306 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -126.82 -87.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 75.209999999999994 109.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.3 p -81.01 -87.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 73.430000000000007 109.992 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.421 ' HB2' ' CB ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -74.75 60.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 74.310000000000002 109.262 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' GLN . 0.1 OUTLIER -46.13 -89.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 74.209999999999994 109.299 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.496 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -37.45 -60.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.310000000000002 110.037 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 79' ' ' ASN . 1.8 mt-10 -39.48 -41.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 71.420000000000002 110.275 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' ASP . 3.8 tp60 -65.73 -65.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 64.310000000000002 110.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' CG ' ' HA ' ' A' ' 81' ' ' SER . 7.6 pt-20 -55.98 -16.14 4.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 70.120000000000005 110.347 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -75.31 -67.28 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 75.409999999999997 109.293 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 89' ' ' PHE . 3.7 pp -57.15 -43.5 82.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.439999999999998 109.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 32.0 mm-40 -56.48 -39.53 73.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 71.040000000000006 110.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.49 ' HB3' ' CB ' ' A' ' 466' ' ' ALA . . . -90.99 -12.34 36.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 75.200000000000003 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 85' ' ' LEU . 48.4 t80 -71.87 -55.64 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 75.340000000000003 111.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -1.24 21.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 71.430000000000007 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -96.3 -35.72 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 74.420000000000002 109.293 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.589 ' CE2' ' CG1' ' A' ' 108' ' ' VAL . 2.6 m-85 -86.48 -35.36 19.67 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 123.634 1.683 . . . . 75.230000000000004 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.09 101.06 5.17 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 117.897 -1.049 . . . . 71.549999999999997 109.948 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -31.97 19.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 73.519999999999996 109.276 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.31 -51.04 12.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 73.239999999999995 109.271 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 94.26 67.72 1.04 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 74.319999999999993 111.011 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -127.15 3.0 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 63.240000000000002 109.317 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 77.58 18.09 78.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 70.209999999999994 111.036 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.0 mt -149.88 115.84 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 75.310000000000002 109.319 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.441 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 55.9 mt -79.61 103.61 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 75.239999999999995 109.32 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.7 t -72.06 173.4 8.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 63.030000000000001 110.028 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -45.63 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 71.239999999999995 109.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' C ' ' N ' ' A' ' 105' ' ' LEU . . . -41.68 -66.39 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 74.439999999999998 109.349 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -40.69 -27.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 65.129999999999995 110.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 102' ' ' ALA . 41.9 tp -90.56 -73.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 72.239999999999995 109.339 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -45.44 -61.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 75.120000000000005 109.286 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.53 -41.98 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 71.420000000000002 109.616 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.589 ' CG1' ' CE2' ' A' ' 92' ' ' PHE . 1.7 t -68.95 -39.56 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 75.109999999999999 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' LYS . 1.1 mt -61.8 -37.51 84.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.429 ' CG2' ' HG2' ' A' ' 115' ' ' LYS . 52.1 m -75.13 -8.04 55.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 75.129999999999995 110.377 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.49 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -84.34 -19.63 33.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 64.450000000000003 110.023 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.499 ' CD1' ' CD ' ' A' ' 461' ' ' LYS . 5.8 pt -92.47 -26.05 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 75.340000000000003 109.292 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 129.13 1.09 5.82 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.488 1.117 . . . . 72.450000000000003 111.031 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.48 ' CG ' ' HB3' ' A' ' 109' ' ' LEU . 3.6 pt-20 -112.05 121.81 46.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 73.340000000000003 110.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.429 ' HG2' ' CG2' ' A' ' 110' ' ' THR . 5.2 mtmm -109.87 110.64 21.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 74.230000000000004 109.318 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.407 ' CD1' ' HE1' ' A' ' 124' ' ' MET . 75.3 mt -96.75 138.02 34.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 61.340000000000003 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' GLU . 45.4 p -60.47 145.25 49.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 73.340000000000003 110.399 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 2.0 m-20 -42.68 -33.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 75.140000000000001 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 123' ' ' ASP . . . -77.82 -45.02 25.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 73.519999999999996 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' THR . 17.3 mm-40 -54.24 -44.08 71.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 62.299999999999997 110.331 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 7.9 p -78.5 -52.31 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 74.349999999999994 109.283 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 118' ' ' ASP . 23.0 t70 -55.85 -21.19 18.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 65.010000000000005 109.308 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 119' ' ' ALA . 7.1 t0 -91.22 -36.0 14.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 74.549999999999997 109.302 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.407 ' HE1' ' CD1' ' A' ' 116' ' ' LEU . 18.5 ttm -61.6 -32.77 72.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 73.409999999999997 111.036 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 127' ' ' GLU . 4.7 mt -68.89 -56.99 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 72.230000000000004 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 125' ' ' LEU . 25.6 mtt-85 -37.3 -30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 75.040000000000006 110.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.4 mm-40 -45.9 -50.69 14.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 71.5 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.516 ' CB ' ' HB2' ' A' ' 142' ' ' ALA . 31.0 m -132.7 13.67 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 71.239999999999995 109.34 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.0 p -98.47 8.27 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 71.230000000000004 110.003 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 129' ' ' SER . 27.4 t70 39.58 45.2 1.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 72.340000000000003 109.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.04 45.71 71.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 71.209999999999994 110.985 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 129' ' ' SER . 40.8 t -101.71 -74.17 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.767 . . . . 74.109999999999999 110.011 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 147.07 -15.17 1.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 64.299999999999997 110.98 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -134.56 156.71 48.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 72.120000000000005 110.339 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.422 ' HB ' ' N ' ' A' ' 140' ' ' PHE . 2.4 pt -127.53 113.76 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 75.439999999999998 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.48 ' HB3' ' CD2' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -70.89 -173.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 62.399999999999999 109.313 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.52 HD12 ' CD1' ' A' ' 89' ' ' PHE . 4.7 tp -60.58 -24.54 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 74.230000000000004 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.456 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 4.2 mm-40 -83.74 -57.11 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 74.329999999999998 110.303 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 142' ' ' ALA . 24.4 mt-30 -59.39 -53.84 53.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 71.430000000000007 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.467 ' CD2' HD11 ' A' ' 85' ' ' LEU . 11.4 t80 -47.55 -37.27 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.450000000000003 111.01 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.472 ' CB ' ' HG ' ' A' ' 85' ' ' LEU . . . -74.06 -28.71 61.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 73.019999999999996 109.339 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.516 ' HB2' ' CB ' ' A' ' 128' ' ' VAL . . . -53.76 -47.11 71.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 72.200000000000003 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.63 -42.06 87.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 72.140000000000001 109.285 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.415 ' CD1' HD21 ' A' ' 85' ' ' LEU . 4.6 mt -68.1 -14.89 63.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 73.219999999999999 109.27 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' ALA . 0.3 OUTLIER -142.11 51.45 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 54.43 110.011 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 142' ' ' ALA . 9.2 tptt -176.72 112.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 74.310000000000002 109.285 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.47 ' CA ' HG21 ' A' ' 150' ' ' THR . . . -146.7 92.66 0.15 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.553 1.158 . . . . 72.420000000000002 110.956 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.25 -54.68 10.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 72.450000000000003 109.985 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.7 p -91.2 34.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 75.200000000000003 109.999 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.47 HG21 ' CA ' ' A' ' 147' ' ' GLY . 34.3 p -111.71 -177.54 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 72.109999999999999 110.406 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.429 ' O ' ' CE ' ' A' ' 456' ' ' LYS . . . 170.05 -71.07 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 73.310000000000002 111.022 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 5.4 m -142.83 14.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 72.209999999999994 110.346 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.81 -50.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 73.310000000000002 110.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.466 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 44.2 mmt-85 -78.71 -19.76 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 75.420000000000002 110.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.429 ' CE ' ' O ' ' A' ' 151' ' ' GLY . 4.5 ptpt -61.95 -27.76 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 73.439999999999998 109.315 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . 0.422 ' CB ' ' CD ' ' A' ' 14' ' ' GLU . . . -82.76 -19.22 38.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 74.230000000000004 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -59.35 4.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 75.310000000000002 109.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 2.0 ptp85 -59.44 -25.4 64.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 73.409999999999997 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 11' ' ' GLU . 6.9 t30 -70.74 -32.22 69.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 64.329999999999998 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.499 ' CD ' ' CD1' ' A' ' 112' ' ' ILE . 2.9 ttmt -56.88 -26.24 58.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 75.120000000000005 109.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 92' ' ' PHE . 39.9 mt -89.51 -29.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 73.450000000000003 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 463' ' ' LEU . 6.3 mp -52.76 -59.71 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 73.519999999999996 109.24 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.493 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -51.89 -58.14 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 71.120000000000005 109.311 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.475 ' CG2' HD13 ' A' ' 39' ' ' LEU . 43.1 mt -44.56 -26.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.329999999999998 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.49 ' CB ' ' HB3' ' A' ' 88' ' ' ALA . . . -85.89 -72.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 74.439999999999998 109.346 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.476 ' HE3' ' CD1' ' A' ' 76' ' ' LEU . 1.7 mptt -44.22 -64.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 74.349999999999994 109.291 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.553 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 34.3 t -44.93 -45.26 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.430000000000007 109.327 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 12.1 t -64.25 -32.62 74.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 74.510000000000005 109.97 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.5 OUTLIER -71.58 -40.56 69.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 74.430000000000007 110.281 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.465 ' CE ' HD11 ' A' ' 51' ' ' LEU . 5.3 mtm -47.46 -28.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 65.239999999999995 111.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 13.7 t80 -88.25 -26.02 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 73.109999999999999 111.048 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 470' ' ' ARG . 4.1 m -89.09 -2.07 58.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 62.5 110.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 475' ' ' LEU . 11.7 p -111.34 -48.57 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 65.519999999999996 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 474' ' ' VAL . 0.1 OUTLIER -39.17 -36.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 73.239999999999995 109.308 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 74.200000000000003 110.327 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.957 -0.857 . . . . 52.439999999999998 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 98.3 p -143.12 138.38 29.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 72.319999999999993 109.97 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -122.56 152.19 40.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 64.239999999999995 109.966 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.06 35.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 72.530000000000001 109.266 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -98.81 146.8 25.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 75.109999999999999 109.285 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 p -94.76 170.32 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 72.450000000000003 110.414 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -56.63 -20.58 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 74.150000000000006 110.266 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -83.92 -23.73 31.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 74.010000000000005 110.293 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -81.07 -34.72 32.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 75.310000000000002 110.304 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.463 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 2.0 mm -61.88 -28.03 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 73.439999999999998 109.312 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.59 -12.19 60.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 64.319999999999993 109.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -81.08 -64.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 72.319999999999993 110.298 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CE2' HD12 ' A' ' 4' ' ' LEU . 82.2 m-85 -44.97 -25.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 71.209999999999994 110.958 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.0 mttt -55.84 -45.5 78.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 71.409999999999997 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.13 -37.58 80.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 73.239999999999995 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HB1' ' CB ' ' A' ' 464' ' ' ALA . . . -75.02 -15.16 60.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 62.219999999999999 109.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.5 t80 -79.72 -46.49 16.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 73.120000000000005 111.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' LEU . . . -53.33 -29.65 35.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 70.439999999999998 109.319 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 84.2 mt -39.78 -42.18 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 73.420000000000002 109.286 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 21.8 m-85 -109.64 -39.06 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 71.200000000000003 110.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -66.77 84.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 62.539999999999999 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HE3' ' CG2' ' A' ' 34' ' ' THR . 21.0 mmtt -65.39 -67.37 0.45 Allowed 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.605 1.669 . . . . 73.439999999999998 109.345 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -73.2 -16.71 61.41 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 117.942 -1.028 . . . . 72.400000000000006 110.015 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 63.1 62.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 73.120000000000005 109.299 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 19.7 p30 -99.24 -3.6 33.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 75.439999999999998 109.25 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.1 32.88 19.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 74.510000000000005 110.947 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.91 111.75 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 0.741 . . . . 74.140000000000001 110.026 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.575 HD12 ' CE1' ' A' ' 16' ' ' PHE . 30.4 mt -91.68 101.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 72.420000000000002 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 p -68.92 164.01 23.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.43 109.981 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.451 ' CB ' HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -54.93 -41.44 71.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 64.450000000000003 110.0 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -18.21 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 73.140000000000001 109.981 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' O ' ' CG2' ' A' ' 34' ' ' THR . 48.2 mt-10 -90.45 -49.21 6.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 75.019999999999996 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' CD2' HG11 ' A' ' 48' ' ' VAL . 1.3 tt -58.26 -42.52 86.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 72.219999999999999 109.33 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.88 -12.7 61.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 63.520000000000003 109.307 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -71.77 -29.07 64.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 64.239999999999995 110.358 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.544 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -91.13 -60.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 70.349999999999994 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.41 ' CE ' HD12 ' A' ' 41' ' ' LEU . 80.9 mmm -37.24 -52.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 110.997 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' SER . 11.8 ptp180 -62.86 -42.19 99.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 65.019999999999996 110.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' VAL . 74.1 m -58.59 -26.73 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 65.209999999999994 109.972 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 465' ' ' ILE . 14.5 mt -78.69 -21.19 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 63.340000000000003 109.338 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.28 0.42 8.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.137 . . . . 72.549999999999997 111.014 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.41 HD12 ' CE ' ' A' ' 36' ' ' MET . 33.8 mt -80.01 -176.71 5.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 74.400000000000006 109.283 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.485 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 10.9 t -162.73 60.23 0.98 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.400000000000006 109.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.94 148.33 35.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 75.420000000000002 111.017 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m -91.22 139.84 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.319999999999993 109.978 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 55.2 tt0 -48.38 -27.11 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 75.540000000000006 110.307 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.25 -48.46 75.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 73.319999999999993 109.3 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' HB3' ' CD2' ' A' ' 475' ' ' LEU . 2.0 mt-10 -76.3 -51.42 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.310000000000002 110.314 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 43' ' ' PRO . 52.1 t -40.3 -29.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 53.340000000000003 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 47' ' ' GLU . 85.1 m-20 -74.55 -66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 73.540000000000006 109.319 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -49.95 -22.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 72.530000000000001 109.322 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.525 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 2.8 tt -81.59 -61.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 73.310000000000002 109.315 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.408 ' HE3' ' N ' ' A' ' 29' ' ' SER . 5.2 ptm -63.12 -12.92 30.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 70.439999999999998 110.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -88.51 -13.65 39.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 73.040000000000006 109.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.48 -9.89 59.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.510000000000005 110.288 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.424 ' CG2' ' HB2' ' A' ' 71' ' ' LEU . 2.4 mm -117.89 -43.16 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 74.409999999999997 109.29 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 7.1 t0 -38.3 119.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 64.109999999999999 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 67' ' ' GLU . 2.7 p -92.08 -31.71 4.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 CA-C-O 123.634 1.683 . . . . 74.409999999999997 109.27 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.6 p30 -93.03 -6.95 47.11 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.942 -1.028 . . . . 74.430000000000007 110.007 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.5 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.16 42.14 87.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 63.32 111.009 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.41 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 38.0 p-10 -97.39 12.49 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 73.099999999999994 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.684 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 26.4 t60 64.35 32.65 11.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 64.430000000000007 109.621 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 42.1 mt-30 -153.07 -176.76 5.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.409999999999997 110.327 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.3 126.31 61.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 74.310000000000002 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 1.2 tt0 -94.71 174.62 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 73.439999999999998 110.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.4 t80 -73.74 -13.45 60.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 73.030000000000001 111.007 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.1 t -89.17 -43.85 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 73.430000000000007 109.96 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG2' ' CG1' ' A' ' 57' ' ' VAL . 11.5 mt-10 -71.85 -47.65 51.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 63.100000000000001 110.319 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -55.05 -43.81 74.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.510000000000005 110.961 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.505 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -72.48 -36.16 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.306 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.62 -14.46 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 75.299999999999997 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 75' ' ' GLN . 8.7 tp -76.24 -49.82 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 74.019999999999996 109.249 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.496 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.8 OUTLIER -59.73 -42.96 94.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 72.420000000000002 111.002 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -6.29 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 74.140000000000001 109.965 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.486 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -132.69 29.37 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 110.313 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.477 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -120.44 13.04 11.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.129999999999995 110.296 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 80' ' ' ASP . 62.8 mt -149.29 165.24 32.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 75.420000000000002 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -137.58 -66.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 74.329999999999998 109.299 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t -113.11 -76.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 62.039999999999999 110.024 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.547 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -76.0 60.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 72.340000000000003 109.314 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.486 ' HA ' ' CD2' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -54.52 -88.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 73.340000000000003 109.286 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.5 t -36.91 -58.59 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 109.962 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.52 -50.53 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.129999999999995 110.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -54.21 -62.4 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 75.310000000000002 110.28 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 7.2 pt-20 -63.19 -12.26 26.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 75.239999999999995 110.314 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.673 ' CD1' ' CD2' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -78.95 -66.94 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 74.140000000000001 109.294 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 pp -49.1 -40.06 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 64.420000000000002 109.305 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 25.5 mm-40 -69.55 -60.04 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.129999999999995 110.253 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -60.54 -13.8 16.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 53.310000000000002 109.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 85' ' ' LEU . 47.5 t80 -85.61 -45.18 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.5 111.007 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -81.47 -3.18 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 73.239999999999995 109.299 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -98.48 -42.37 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.120000000000005 109.31 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 2.0 m-85 -69.81 -38.33 76.58 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.57 1.653 . . . . 73.040000000000006 111.01 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.7 100.67 2.88 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.899 -1.048 . . . . 63.329999999999998 110.002 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.28 -31.81 20.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 72.530000000000001 109.302 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.456 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -77.37 -45.8 24.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 75.549999999999997 109.282 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.58 77.06 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 73.420000000000002 111.016 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.07 10.21 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 72.409999999999997 109.294 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.512 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 69.53 19.34 74.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 72.140000000000001 111.038 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.3 mt -149.9 110.99 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 63.229999999999997 109.287 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.437 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 60.7 mt -76.29 103.75 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 65.310000000000002 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.71 177.19 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 62.149999999999999 110.027 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -47.18 -70.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 72.120000000000005 109.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.488 ' HA ' ' CG ' ' A' ' 106' ' ' LYS . . . -40.04 -66.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 74.25 109.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 37.0 mt-10 -38.45 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 64.140000000000001 110.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 102' ' ' ALA . 4.0 tp -93.32 -72.96 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 74.109999999999999 109.271 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.488 ' CG ' ' HA ' ' A' ' 103' ' ' ALA . 18.7 ptmt -46.03 -57.42 4.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 73.409999999999997 109.287 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.562 ' CD2' HG21 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -48.39 -41.24 28.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 109.606 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.579 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -64.04 -55.41 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 75.099999999999994 109.256 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -59.19 -22.83 61.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 75.540000000000006 109.328 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.6 m -84.81 -17.34 38.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 73.409999999999997 110.383 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.437 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -75.94 -12.98 60.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 62.399999999999999 109.994 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.483 ' CD1' ' HG2' ' A' ' 461' ' ' LYS . 6.2 pt -108.24 -30.32 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 74.319999999999993 109.251 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 146.78 -30.92 1.51 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 73.340000000000003 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.442 ' HG3' ' CD ' ' A' ' 461' ' ' LYS . 13.1 mt-10 -64.55 110.45 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.746 . . . . 74.239999999999995 110.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -114.25 91.97 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 74.209999999999994 109.275 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 2.6 mp -88.87 135.9 33.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 109.324 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 120' ' ' GLU . 74.9 p -64.85 153.62 39.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 72.450000000000003 110.39 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 25.3 t70 -45.43 -40.32 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 75.430000000000007 109.313 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 123' ' ' ASP . . . -68.4 -39.07 81.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 75.140000000000001 109.269 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 116' ' ' LEU . 14.4 mm-40 -63.79 -60.08 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 73.239999999999995 110.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.478 HG12 ' CE ' ' A' ' 106' ' ' LYS . 7.8 p -59.19 -56.34 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 75.219999999999999 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 118' ' ' ASP . 10.7 t70 -52.67 -21.97 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 71.019999999999996 109.254 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 3.8 t70 -91.73 -28.63 17.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 75.25 109.271 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.514 ' O ' ' CG ' ' A' ' 127' ' ' GLU . 15.6 tpp -66.9 -41.47 87.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 70.400000000000006 111.001 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 127' ' ' GLU . 10.7 mt -60.31 -55.25 35.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 65.510000000000005 109.317 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 19.1 mtt-85 -37.75 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 74.420000000000002 110.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 124' ' ' MET . 94.6 mt-10 -44.87 -49.25 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.439999999999998 110.315 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' A' ' 142' ' ' ALA . 33.5 m -132.03 10.34 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 109.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 132' ' ' SER . 1.5 p -97.74 3.25 50.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 63.240000000000002 110.034 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.9 t70 40.67 32.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 73.400000000000006 109.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.77 46.62 60.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 72.549999999999997 111.011 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 129' ' ' SER . 1.1 m -97.06 -72.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 62.539999999999999 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 147.31 -14.52 1.45 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 70.030000000000001 110.968 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 27.0 mt-10 -146.28 163.36 35.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 72.200000000000003 110.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.419 ' HB ' ' N ' ' A' ' 140' ' ' PHE . 5.2 pt -131.31 131.1 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 74.420000000000002 109.298 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.416 ' OD1' ' CD2' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -97.06 -176.39 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 75.439999999999998 109.263 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.3 tp -53.44 -20.2 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 74.310000000000002 109.262 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -86.61 -55.33 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 110.323 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 142' ' ' ALA . 29.4 mt-30 -65.35 -57.85 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 73.230000000000004 110.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.673 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 17.9 t80 -44.77 -46.47 10.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 74.010000000000005 111.028 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.491 ' CB ' ' HG ' ' A' ' 85' ' ' LEU . . . -62.19 -31.89 72.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 72.099999999999994 109.252 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.482 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . . . -58.75 -19.67 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 64.439999999999998 109.298 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.472 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 85.7 mt -72.55 -66.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 63.039999999999999 109.291 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 85' ' ' LEU . 10.0 mt -49.58 -22.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.420000000000002 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 143' ' ' LEU . 72.2 m -107.08 39.49 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 64.439999999999998 109.991 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.35 86.24 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -125.43 41.07 1.74 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 71.540000000000006 111.058 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 26.0 p -87.91 -59.26 2.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.744 . . . . 72.310000000000002 110.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.2 23.21 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 71.310000000000002 110.022 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.473 ' CG2' ' HB3' ' A' ' 455' ' ' ARG . 3.2 p -114.76 -159.47 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 72.409999999999997 110.432 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.411 ' C ' ' OG1' ' A' ' 453' ' ' THR . . . 163.38 -39.38 0.33 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 64.120000000000005 110.984 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.411 ' OG1' ' C ' ' A' ' 151' ' ' GLY . 6.4 m -157.12 -43.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.8 . . . . 70.400000000000006 110.377 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -75.62 -69.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 63.039999999999999 110.312 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.473 ' HB3' ' CG2' ' A' ' 150' ' ' THR . 21.0 mmt-85 -56.32 -42.06 77.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 73.439999999999998 110.256 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.416 ' N ' ' HB ' ' A' ' 150' ' ' THR . 0.0 OUTLIER -60.27 -19.42 54.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 75.430000000000007 109.263 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -92.5 -17.65 24.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 62.210000000000001 109.283 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -52.14 65.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 71.310000000000002 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.472 ' NH1' ' O ' ' A' ' 143' ' ' LEU . 3.6 ptp180 -73.51 -25.71 60.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 75.230000000000004 110.293 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -58.07 -31.26 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 74.230000000000004 109.311 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.483 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 4.8 ttmt -59.98 -25.35 65.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 75.340000000000003 109.253 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.573 HD11 ' CZ ' ' A' ' 92' ' ' PHE . 39.2 mt -88.05 -34.25 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 75.209999999999994 109.301 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.3 mp -48.73 -45.09 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 73.299999999999997 109.31 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.496 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -72.05 -53.36 13.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 65.329999999999998 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.452 HG21 ' CD1' ' A' ' 39' ' ' LEU . 24.9 mt -48.21 -24.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 73.319999999999993 109.338 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -84.25 -71.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 470' ' ' ARG . 5.7 mttp -44.05 -65.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 72.209999999999994 109.34 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 464' ' ' ALA . 7.9 m -38.43 -31.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.319999999999993 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -74.31 -53.6 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 74.329999999999998 110.017 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 467' ' ' LYS . 1.0 OUTLIER -55.42 -42.17 73.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.129999999999995 110.273 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.465 ' CE ' HD21 ' A' ' 51' ' ' LEU . 27.8 mtp -42.97 -49.1 6.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 70.329999999999998 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 7.0 t80 -50.54 -36.95 36.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 73.530000000000001 111.059 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -75.44 -26.54 58.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.319999999999993 110.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 475' ' ' LEU . 47.3 t -74.68 -51.61 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 73.439999999999998 109.315 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.02 -38.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 73.409999999999997 109.272 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 72.409999999999997 110.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.983 -0.847 . . . . 71.209999999999994 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.29 56.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 55.25 110.02 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.471 ' OG ' ' CB ' ' A' ' 73' ' ' SER . 4.2 t -120.2 142.25 49.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 75.239999999999995 110.013 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -126.98 70.74 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 71.409999999999997 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -114.48 173.0 6.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 74.140000000000001 109.288 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 p -116.54 167.93 10.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 73.310000000000002 110.441 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -52.23 -35.29 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.519999999999996 110.338 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -70.9 -25.6 62.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 75.510000000000005 110.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -78.34 -36.96 45.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.120000000000005 110.253 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.657 ' CG2' ' CZ ' ' A' ' 65' ' ' PHE . 1.6 mm -63.38 -21.27 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 74.349999999999994 109.302 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.68 -17.55 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 75.329999999999998 109.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' HG3' ' NZ ' ' A' ' 456' ' ' LYS . 23.8 mm-40 -80.03 -66.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 72.219999999999999 110.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.561 ' CE1' HD11 ' A' ' 4' ' ' LEU . 77.6 m-85 -42.68 -26.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 75.420000000000002 110.99 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 12.1 mttt -51.55 -47.56 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.400000000000006 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.458 ' HB3' ' CE ' ' A' ' 461' ' ' LYS . 6.6 mm-40 -55.14 -46.4 75.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 74.120000000000005 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -66.24 -15.33 63.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 71.140000000000001 109.26 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CE1' HD12 ' A' ' 27' ' ' ILE . 1.4 t80 -85.22 -36.85 20.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 75.420000000000002 110.969 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -14.27 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 63.43 109.326 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 38.7 mt -56.74 -40.07 75.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 73.340000000000003 109.278 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CE2' ' HB ' ' A' ' 35' ' ' VAL . 2.4 m-85 -108.83 -45.8 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 74.200000000000003 111.031 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.0 92.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 73.150000000000006 109.247 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' PHE . 4.8 mmtp -69.73 -67.43 0.49 Allowed 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 123.633 1.682 . . . . 74.239999999999995 109.309 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.7 p30 -74.12 -20.4 60.26 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.876 -1.059 . . . . 74.010000000000005 109.967 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 m120 69.56 60.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 75.25 109.278 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 23.7 p30 -98.21 -23.13 15.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 64.25 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 105.42 40.87 1.99 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 61.25 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.95 115.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 74.200000000000003 109.983 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.577 HD12 ' CE1' ' A' ' 16' ' ' PHE . 95.9 mt -102.29 93.39 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 75.140000000000001 109.358 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.452 ' OG ' ' NE2' ' A' ' 61' ' ' HIS . 33.5 t -67.71 -170.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 71.230000000000004 109.999 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.446 ' N ' ' OG ' ' A' ' 28' ' ' SER . 30.5 t -74.7 -23.6 58.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 73.239999999999995 110.019 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.55 -27.28 58.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 73.540000000000006 109.957 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -90.86 -37.32 13.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 75.340000000000003 110.263 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 1.3 tt -68.03 -56.94 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 72.519999999999996 109.307 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.05 -12.71 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 71.409999999999997 109.27 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.65 -35.73 62.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 73.109999999999999 110.381 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.559 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.3 t -78.94 -63.84 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.319999999999993 109.292 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.513 ' HE2' ' CG ' ' A' ' 472' ' ' PHE . 88.7 mtp -38.08 -51.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 74.400000000000006 110.979 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -62.12 -40.85 97.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 72.230000000000004 110.316 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' VAL . 21.1 p -58.57 -16.37 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 72.540000000000006 110.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 HD11 ' CG2' ' A' ' 465' ' ' ILE . 19.2 mt -93.6 -20.33 20.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 73.200000000000003 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.33 1.15 8.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 73.230000000000004 111.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.8 mt -77.98 177.73 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 64.530000000000001 109.302 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -158.64 59.59 1.54 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 72.409999999999997 109.965 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.05 137.93 22.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.821 . . . . 72.519999999999996 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -76.48 140.07 41.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 75.409999999999997 110.027 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -55.0 -26.6 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 75.120000000000005 110.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.88 74.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 109.289 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' C ' ' N ' ' A' ' 49' ' ' ASN . 2.6 mm-40 -74.37 -51.65 14.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 73.109999999999999 110.287 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 43' ' ' PRO . 45.6 t -39.62 -30.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 73.530000000000001 109.245 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.54 ' OD1' ' CE1' ' A' ' 61' ' ' HIS . 72.4 m-20 -74.76 -66.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.88 -23.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 70.099999999999994 109.311 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -75.52 -68.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 73.140000000000001 109.272 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.418 ' HE2' ' N ' ' A' ' 29' ' ' SER . 7.5 ptm -61.4 -12.56 14.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 75.120000000000005 110.999 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 1.1 m-80 -78.14 -7.91 57.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 65.099999999999994 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -99.32 -11.34 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 74.25 110.292 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' ASP . 1.2 mm -108.57 -53.44 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 74.200000000000003 109.335 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 6.5 t0 -37.9 122.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 72.030000000000001 109.283 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.3 t -81.67 -34.26 12.78 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-O 123.674 1.702 . . . . 74.150000000000006 109.335 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 51.9 p30 -97.84 -6.74 31.88 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 117.909 -1.043 . . . . 74.209999999999994 109.993 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.48 41.93 93.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 72.200000000000003 111.005 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 34.3 p-10 -92.59 13.48 19.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 73.030000000000001 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.637 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 43.7 t60 65.85 29.78 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 75.340000000000003 109.581 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 47.4 mt-30 -152.24 158.73 43.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 75.430000000000007 110.349 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.21 124.0 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 74.109999999999999 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.47 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 7.2 mt-10 -90.0 -178.75 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 64.319999999999993 110.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.657 ' CZ ' ' CG2' ' A' ' 9' ' ' ILE . 9.0 t80 -79.21 -10.97 59.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 72.109999999999999 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.503 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 16.7 p -97.14 -27.73 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 63.140000000000001 110.007 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -86.55 -53.78 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.219999999999999 110.324 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.441 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 83.9 t80 -55.34 -43.59 75.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 72.129999999999995 110.97 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.71 -24.58 63.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 71.5 109.356 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.576 ' N ' ' CD1' ' A' ' 69' ' ' LEU . . . -86.44 -15.45 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 72.209999999999994 109.331 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 75' ' ' GLN . 54.5 tp -74.36 -53.85 8.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 75.430000000000007 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.486 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -47.9 -45.0 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 75.010000000000005 110.991 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.471 ' CB ' ' OG ' ' A' ' 2' ' ' SER . 3.6 p -72.89 -22.57 60.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 75.310000000000002 110.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -111.41 29.44 7.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 73.420000000000002 110.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.476 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 11.5 mm100 -117.66 -10.04 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 110.27 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -118.96 153.53 34.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 73.099999999999994 109.321 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -142.63 -61.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 74.530000000000001 109.301 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.3 m -146.44 -79.31 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 74.209999999999994 109.994 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.65 -2.11 57.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 73.400000000000006 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.483 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 0.9 OUTLIER -43.09 -54.11 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 74.140000000000001 109.285 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' ASP . 11.6 t -37.95 -62.68 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 65.310000000000002 110.021 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -45.37 -42.49 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.120000000000005 110.326 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 80' ' ' ASP . 3.3 tp60 -57.48 -60.55 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 64.430000000000007 110.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . 8.3 pt-20 -63.91 -19.62 65.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 72.200000000000003 110.279 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.554 ' CD1' ' CB ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -72.25 -64.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 72.510000000000005 109.3 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 pp -53.89 -35.38 61.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.120000000000005 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.509 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 5.0 mm-40 -67.09 -58.74 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 74.450000000000003 110.334 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.474 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -64.87 -17.66 64.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 74.120000000000005 109.291 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 30.2 t80 -77.11 -57.68 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 75.209999999999994 110.986 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -18.96 61.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 75.549999999999997 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 5.0 t -73.93 -49.37 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 74.519999999999996 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.673 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 3.5 m-85 -67.76 -38.63 83.71 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.656 1.693 . . . . 75.420000000000002 110.965 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.4 OUTLIER -72.67 101.53 3.08 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.872 -1.061 . . . . 75.430000000000007 109.941 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -35.8 23.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 74.319999999999993 109.286 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.6 OUTLIER -74.63 -46.69 36.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 71.140000000000001 109.266 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.92 77.22 1.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 111.016 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -133.03 5.61 3.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 63.43 109.273 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 81.41 14.06 79.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 110.977 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 0.5 OUTLIER -151.0 116.12 5.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 75.400000000000006 109.311 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.448 HD11 ' CB ' ' A' ' 92' ' ' PHE . 66.5 mt -76.18 99.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 73.230000000000004 109.332 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.1 t -64.12 174.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 72.319999999999993 110.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.472 ' HA ' ' CD1' ' A' ' 125' ' ' LEU . . . -47.46 -70.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.329999999999998 109.265 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.21 -67.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 65.310000000000002 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 31.7 mt-10 -37.93 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 74.540000000000006 110.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -89.14 -72.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 74.409999999999997 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -47.76 -59.22 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.420000000000002 109.309 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.561 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -41.26 -40.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 72.319999999999993 109.597 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.673 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.7 t -71.26 -42.81 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 62.210000000000001 109.312 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.499 ' O ' ' CG1' ' A' ' 112' ' ' ILE . 1.6 mm? -59.78 -34.48 73.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 71.239999999999995 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.7 m -84.85 -14.98 46.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 64.519999999999996 110.4 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.27 -0.06 39.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.439999999999998 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.53 ' CD1' ' CG ' ' A' ' 461' ' ' LYS . 12.5 pt -111.94 -33.56 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 70.319999999999993 109.325 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.58 -39.82 1.01 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 73.239999999999995 111.029 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.474 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -53.83 171.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 72.340000000000003 110.322 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 2.7 mtmp? -148.85 114.31 5.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 73.340000000000003 109.274 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 12.9 mt -123.03 133.23 54.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 74.439999999999998 109.293 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 120' ' ' GLU . 26.9 p -65.11 145.34 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 75.019999999999996 110.395 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -45.46 -27.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 72.109999999999999 109.33 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 117' ' ' THR . . . -81.3 -42.85 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 62.350000000000001 109.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 117' ' ' THR . 5.9 mm-40 -57.38 -43.81 83.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 63.539999999999999 110.308 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 10.1 p -72.27 -54.36 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 75.019999999999996 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.444 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 30.8 t70 -47.18 -24.71 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 72.409999999999997 109.271 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.414 ' N ' ' C ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -91.48 -36.13 13.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.540000000000006 109.3 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.465 ' CE ' HD11 ' A' ' 458' ' ' LEU . 25.6 ttm -58.38 -34.45 70.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 64.030000000000001 111.017 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 102' ' ' ALA . 3.5 mt -70.31 -59.21 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 62.329999999999998 109.276 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -39.51 -29.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 71.219999999999999 110.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 125' ' ' LEU . 4.0 mm-40 -42.85 -46.31 5.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 72.120000000000005 110.276 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.5 ' CG1' ' NZ ' ' A' ' 146' ' ' LYS . 25.7 m -123.82 -0.69 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 74.340000000000003 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.499 ' HA ' ' NE2' ' A' ' 139' ' ' GLN . 0.0 OUTLIER -83.22 -8.42 59.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 110.015 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.2 t70 60.31 28.5 18.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 74.329999999999998 109.271 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 91.28 -8.44 79.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.563 1.165 . . . . 74.420000000000002 111.014 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.447 ' N ' ' OG ' ' A' ' 129' ' ' SER . 28.1 t -52.34 -87.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.761 . . . . 73.040000000000006 110.013 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.448 ' N ' ' OG ' ' A' ' 129' ' ' SER . . . 156.46 -22.19 0.49 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 63.030000000000001 111.023 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.414 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 12.5 mt-10 -124.11 172.47 8.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 72.439999999999998 110.327 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 143' ' ' LEU . 7.0 pt -139.1 125.23 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.040000000000006 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -90.6 -176.98 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 64.200000000000003 109.253 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 89' ' ' PHE . 2.7 tp -54.9 -18.36 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 75.430000000000007 109.268 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -90.08 -56.44 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 72.450000000000003 110.253 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.499 ' NE2' ' HA ' ' A' ' 129' ' ' SER . 25.6 mt-30 -62.67 -54.88 32.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.150000000000006 110.353 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.433 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 23.3 t80 -44.21 -47.34 9.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 75.319999999999993 110.984 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.554 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . . . -62.54 -31.46 72.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.239999999999995 109.283 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 139' ' ' GLN . . . -51.2 -33.52 27.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 73.219999999999999 109.279 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 135' ' ' ILE . 1.9 mt -63.43 -59.09 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.439999999999998 109.302 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 144' ' ' LEU . 1.0 OUTLIER -58.05 -17.26 16.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 75.530000000000001 109.325 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.1 m -115.64 40.99 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 73.420000000000002 109.994 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.5 ' NZ ' ' CG1' ' A' ' 128' ' ' VAL . 3.1 tptm -120.95 82.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 74.109999999999999 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -128.2 60.06 0.67 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.471 1.107 . . . . 71.340000000000003 111.025 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.2 t -122.25 -41.57 2.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 0.741 . . . . 74.209999999999994 109.969 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 72.8 m -130.66 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 74.019999999999996 109.996 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.475 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 69.1 p -109.25 -74.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.162 . . . . 73.439999999999998 110.413 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 150' ' ' THR . . . 83.41 40.48 9.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.556 1.16 . . . . 60.32 111.001 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.527 ' O ' ' CG2' ' A' ' 453' ' ' THR . 2.1 m 63.71 39.33 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 74.099999999999994 110.383 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -137.08 -45.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 75.239999999999995 110.285 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.475 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 65.2 mmt-85 -82.19 -41.32 20.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 74.450000000000003 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.409 ' NZ ' ' HG3' ' A' ' 11' ' ' GLU . 13.6 ptmt -54.39 -22.29 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 75.150000000000006 109.296 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -90.93 -23.88 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 70.530000000000001 109.297 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . 0.465 HD11 ' CE ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -73.19 -55.28 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 74.439999999999998 109.346 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.406 ' O ' ' CD1' ' A' ' 463' ' ' LEU . 3.0 ptp180 -62.24 -33.23 74.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 110.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -57.36 -37.18 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 74.420000000000002 109.343 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.53 ' CG ' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -54.69 -29.3 52.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 74.430000000000007 109.247 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.566 HG23 ' CZ ' ' A' ' 92' ' ' PHE . 14.7 mt -89.52 -31.11 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 75.329999999999998 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.423 ' HG ' ' NZ ' ' A' ' 467' ' ' LYS . 9.7 mp -50.27 -60.97 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.129999999999995 109.322 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.486 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -50.32 -55.67 14.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 72.010000000000005 109.341 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.471 ' CG2' HD11 ' A' ' 39' ' ' LEU . 28.7 mt -49.58 -23.0 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.299999999999997 109.333 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -86.7 -62.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 75.420000000000002 109.33 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.423 ' NZ ' ' HG ' ' A' ' 463' ' ' LEU . 0.2 OUTLIER -57.51 -67.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 74.439999999999998 109.321 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.517 HG12 ' CZ ' ' A' ' 19' ' ' PHE . 82.9 t -38.96 -34.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 74.340000000000003 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -60.5 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.230000000000004 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -26.72 38.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.450000000000003 110.303 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.425 ' HA ' ' CG1' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -58.06 -25.2 60.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 71.299999999999997 111.029 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 38.1 t80 -88.84 -21.35 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 74.150000000000006 111.01 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 31.2 m -95.48 -1.94 49.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.329999999999998 109.978 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.425 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 12.0 p -107.65 -46.58 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 75.140000000000001 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.09 -35.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 73.430000000000007 109.359 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 70.030000000000001 110.345 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.021 -0.832 . . . . 61.530000000000001 111.021 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.3 p -90.77 84.97 5.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.77 . . . . 75.319999999999993 109.978 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -122.45 149.21 44.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.540000000000006 109.971 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -138.06 67.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 109.29 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.475 HD11 ' CE1' ' A' ' 12' ' ' PHE . 3.0 mt -117.79 179.68 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 72.239999999999995 109.319 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.7 p -124.66 164.45 19.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 71.409999999999997 110.449 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.05 -25.52 21.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 64.540000000000006 110.256 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -78.3 -27.18 47.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 74.219999999999999 110.321 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -77.27 -35.53 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 64.430000000000007 110.271 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.643 ' CG2' ' CZ ' ' A' ' 65' ' ' PHE . 1.9 mm -63.42 -20.72 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 75.329999999999998 109.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.91 -12.74 60.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 61.43 109.289 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 22.1 mt-10 -85.08 -68.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 74.239999999999995 110.28 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' CE1' HD11 ' A' ' 4' ' ' LEU . 71.9 m-85 -41.54 -27.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 75.099999999999994 110.974 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 3.8 mtmt -48.58 -47.93 39.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 73.219999999999999 109.297 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -55.55 -34.7 64.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 74.450000000000003 110.273 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -74.56 -19.01 60.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 74.140000000000001 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.6 t80 -81.44 -41.64 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 74.420000000000002 110.965 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -24.51 62.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 72.329999999999998 109.272 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 63.5 mt -45.95 -42.67 13.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 72.510000000000005 109.279 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CE2' ' HB ' ' A' ' 35' ' ' VAL . 2.1 m-85 -109.19 -47.14 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 73.019999999999996 111.017 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -54.79 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 73.230000000000004 109.301 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 19' ' ' PHE . 8.0 mmtp -65.65 -67.21 0.46 Allowed 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 123.63 1.681 . . . . 74.340000000000003 109.313 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -75.14 -10.89 59.89 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.904 -1.046 . . . . 73.409999999999997 109.968 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 56.75 56.9 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 72.439999999999998 109.306 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 10.7 p30 -89.83 -21.24 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 74.120000000000005 109.284 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 106.96 34.3 3.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 52.32 111.024 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.73 112.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 74.400000000000006 109.99 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 16' ' ' PHE . 96.2 mt -92.01 101.77 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.209999999999994 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.434 ' C ' ' CE ' ' A' ' 52' ' ' MET . 2.3 p -67.05 177.65 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 71.230000000000004 110.028 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.453 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 13.0 t -68.12 -35.36 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 71.129999999999995 110.015 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' ' OG1' ' A' ' 34' ' ' THR . 0.3 OUTLIER -72.53 -22.25 61.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 71.439999999999998 109.995 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -90.6 -35.29 15.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 61.119999999999997 110.303 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 1.7 tt -72.55 -49.13 34.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 71.439999999999998 109.349 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.72 -12.49 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.049999999999997 109.306 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 30' ' ' SER . 0.8 OUTLIER -69.74 -25.11 63.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 72.439999999999998 110.381 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.549 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -91.48 -60.59 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 72.230000000000004 109.25 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.442 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 91.8 mtp -38.22 -54.26 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 73.409999999999997 111.02 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 38' ' ' SER . 9.7 ptm180 -58.19 -40.58 81.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.239999999999995 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' VAL . 6.5 p -59.11 -27.63 65.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 75.129999999999995 109.969 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 465' ' ' ILE . 9.8 mt -79.42 -17.82 53.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 71.049999999999997 109.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.32 11.57 8.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 42.240000000000002 111.016 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.4 -176.96 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 64.310000000000002 109.291 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.453 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 44.4 t -164.32 61.5 0.9 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 74.099999999999994 109.985 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 146.79 33.23 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.78 . . . . 73.219999999999999 111.015 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 m -87.6 140.42 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 64.120000000000005 109.978 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 51.5 tt0 -48.45 -27.93 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 73.140000000000001 110.293 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.14 -49.23 76.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 72.239999999999995 109.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.5 mt-10 -75.85 -51.21 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 71.319999999999993 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.453 ' CG1' ' OG ' ' A' ' 29' ' ' SER . 55.6 t -40.81 -37.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 73.239999999999995 109.257 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 93.0 m-20 -63.94 -63.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 73.400000000000006 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -14.26 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 73.420000000000002 109.264 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.522 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.5 tm? -78.66 -53.79 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 72.340000000000003 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.434 ' CE ' ' C ' ' A' ' 28' ' ' SER . 7.0 ptm -80.29 -14.39 58.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 72.349999999999994 110.974 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -86.6 -8.06 57.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 72.430000000000007 109.31 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -84.75 -12.95 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 72.319999999999993 110.27 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.449 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.4 mm -117.57 -39.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 74.329999999999998 109.343 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.4 t0 -37.85 121.32 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 72.310000000000002 109.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -81.8 -24.72 9.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 CA-C-O 123.625 1.679 . . . . 75.120000000000005 109.298 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.6 p30 -109.06 -6.38 15.66 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.902 -1.047 . . . . 74.239999999999995 109.99 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 55.9 42.52 86.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 71.450000000000003 111.041 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.1 p-10 -92.81 13.65 19.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 74.450000000000003 109.267 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.652 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 39.5 t60 65.8 31.67 9.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 72.439999999999998 109.61 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.452 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 48.1 mt-30 -154.64 158.54 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 74.25 110.247 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -110.68 125.16 67.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 73.120000000000005 109.297 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -90.53 -175.9 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 62.149999999999999 110.325 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.643 ' CZ ' ' CG2' ' A' ' 9' ' ' ILE . 7.1 t80 -82.52 -10.66 58.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 75.030000000000001 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 3.2 m -96.65 -29.36 13.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 63.32 109.991 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -86.0 -53.19 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 74.140000000000001 110.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.443 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 87.7 t80 -55.59 -44.6 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 74.25 111.025 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.08 -24.03 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.420000000000002 109.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.572 ' N ' ' CD1' ' A' ' 69' ' ' LEU . . . -84.55 -15.38 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 74.25 109.293 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.499 ' CD2' ' SD ' ' A' ' 471' ' ' MET . 48.6 tp -72.97 -50.41 23.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 74.439999999999998 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -61.25 -12.92 15.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 71.230000000000004 110.963 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 p -115.23 1.2 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.519999999999996 110.039 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.01 -14.7 11.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.150000000000006 110.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -78.64 -30.19 46.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 71.239999999999995 110.276 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -66.39 84.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 72.329999999999998 109.283 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -84.36 -66.61 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.540000000000006 109.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -137.42 -60.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 63.130000000000003 110.009 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.77 54.43 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 73.439999999999998 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.459 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 2.6 t70 -87.48 -49.09 7.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 75.109999999999999 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 t -44.15 -40.69 5.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 110.036 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.1 -34.56 66.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 71.329999999999998 110.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' ASP . 8.2 tp-100 -64.52 -49.16 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 73.519999999999996 110.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 2.7 pt-20 -57.06 -24.87 57.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 71.439999999999998 110.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 141' ' ' ALA . 8.3 mt -72.03 -67.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 72.530000000000001 109.294 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.01 -36.86 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 74.219999999999999 109.33 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.51 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 5.1 mm-40 -65.62 -58.09 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 74.310000000000002 110.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' ' 466' ' ' ALA . . . -65.58 -18.54 65.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 75.310000000000002 109.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 85' ' ' LEU . 11.7 t80 -76.06 -63.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 74.549999999999997 111.019 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -63.43 -34.84 78.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 75.310000000000002 109.316 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 12.3 t -57.98 -53.77 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 74.400000000000006 109.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.647 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.1 m-85 -64.69 -39.72 94.15 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 123.597 1.665 . . . . 75.049999999999997 110.97 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.09 98.03 2.03 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.925 -1.036 . . . . 72.349999999999994 109.995 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.481 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 3.5 mmtt -84.06 -32.88 24.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.310000000000002 109.288 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.442 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -76.31 -43.6 40.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 73.099999999999994 109.323 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.42 79.71 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 72.010000000000005 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -141.19 12.31 2.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 72.420000000000002 109.267 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.509 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 68.65 19.5 73.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 72.299999999999997 111.009 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.6 mt -150.01 111.02 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 73.409999999999997 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.6 mt -78.31 105.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 70.230000000000004 109.326 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.8 t -73.94 176.3 6.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 74.420000000000002 109.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 106' ' ' LYS . . . -45.44 -71.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 65.209999999999994 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.493 ' HA ' ' CG ' ' A' ' 106' ' ' LYS . . . -40.61 -66.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 70.420000000000002 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 103' ' ' ALA . 40.5 mt-10 -38.41 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 73.129999999999995 110.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.509 ' CD1' ' CD1' ' A' ' 135' ' ' ILE . 0.3 OUTLIER -94.34 -73.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 72.549999999999997 109.311 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.493 ' CG ' ' HA ' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -45.78 -56.32 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 74.239999999999995 109.312 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.533 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.9 -38.86 11.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 74.140000000000001 109.601 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.647 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.7 t -70.65 -55.22 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 73.25 109.241 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.414 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 2.7 mt -51.58 -29.94 19.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 74.140000000000001 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.3 m -80.69 -25.98 37.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 71.5 110.385 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -67.19 -11.19 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 74.329999999999998 110.024 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.469 HG21 ' CD1' ' A' ' 465' ' ' ILE . 12.6 pt -112.23 -32.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 74.040000000000006 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.31 -36.94 0.86 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 63.439999999999998 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 109' ' ' LEU . 36.6 mm-40 -56.11 114.45 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 0.744 . . . . 72.519999999999996 110.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -105.05 103.37 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 72.319999999999993 109.326 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -110.58 121.9 46.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 73.099999999999994 109.282 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.428 ' N ' ' HB2' ' A' ' 120' ' ' GLU . 25.8 p -63.72 160.36 17.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 73.209999999999994 110.42 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -24.73 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 75.230000000000004 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.59 -19.92 24.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 70.510000000000005 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 5.2 mm-40 -81.03 -57.73 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 73.400000000000006 110.335 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -61.28 -50.41 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 73.409999999999997 109.328 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.516 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 4.5 t0 -51.5 -23.75 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 74.120000000000005 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.73 -37.04 13.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 74.099999999999994 109.283 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.425 ' O ' ' CG ' ' A' ' 127' ' ' GLU . 0.5 OUTLIER -63.96 -34.46 78.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 75.209999999999994 110.976 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 129' ' ' SER . 4.2 mt -62.1 -53.59 53.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 74.400000000000006 109.274 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 125' ' ' LEU . 45.2 mtt180 -36.96 -31.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 71.200000000000003 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 7.7 mm-40 -46.53 -50.66 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 75.230000000000004 110.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 142' ' ' ALA . 20.9 m -131.85 14.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 73.519999999999996 109.268 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.2 p -101.07 10.87 40.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 62.210000000000001 109.994 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' SER . 66.0 t0 38.29 47.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.030000000000001 109.326 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 52.28 47.45 55.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 73.299999999999997 111.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' SER . 43.0 t -107.27 -77.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 74.400000000000006 109.967 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 152.33 -19.29 0.82 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.149 . . . . 71.329999999999998 111.006 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 22.4 mt-10 -127.46 174.34 9.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 71.340000000000003 110.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.509 ' CD1' ' CD1' ' A' ' 105' ' ' LEU . 6.3 pt -146.97 127.69 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 75.450000000000003 109.342 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -96.95 170.54 9.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.239999999999995 109.256 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 85' ' ' LEU . 6.7 tp -39.36 -30.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 71.049999999999997 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 136' ' ' ASN . 3.3 mm-40 -75.68 -59.58 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 75.099999999999994 110.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 18.4 mt-30 -66.76 -57.18 7.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.409999999999997 110.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.467 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 64.2 t80 -41.54 -50.96 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 75.400000000000006 111.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 145' ' ' SER . . . -63.1 -34.42 77.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 53.240000000000002 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 139' ' ' GLN . . . -44.95 -27.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 72.530000000000001 109.359 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.475 ' CD1' ' CG2' ' A' ' 128' ' ' VAL . 1.1 mt -82.92 -42.63 17.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 75.129999999999995 109.304 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 141' ' ' ALA . 0.3 OUTLIER -87.36 11.98 13.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 75.099999999999994 109.284 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 141' ' ' ALA . 45.9 t -120.52 -38.08 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 62.43 109.993 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -155.47 -78.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 70.420000000000002 109.284 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.422 ' N ' ' HD2' ' A' ' 146' ' ' LYS . . . 99.59 131.46 7.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 71.200000000000003 111.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 147' ' ' GLY . 47.4 t -37.2 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 61.210000000000001 110.026 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.464 ' C ' ' CG2' ' A' ' 150' ' ' THR . 6.9 m -115.52 107.68 15.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 74.340000000000003 109.992 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.464 ' CG2' ' C ' ' A' ' 149' ' ' SER . 12.7 p -151.48 137.67 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 74.230000000000004 110.396 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -141.88 -77.53 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 73.299999999999997 110.983 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 2.3 m -132.65 7.5 4.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 73.439999999999998 110.433 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -114.62 -48.52 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 72.540000000000006 110.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -85.9 -24.14 26.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 73.209999999999994 110.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.85 -27.97 67.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 74.030000000000001 109.332 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -85.33 -16.15 40.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 60.130000000000003 109.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -50.66 55.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 74.510000000000005 109.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 460' ' ' ASN . 1.7 ptp180 -60.45 -41.57 94.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 74.510000000000005 110.315 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.473 ' N ' ' CG ' ' A' ' 459' ' ' ARG . 6.9 t30 -56.91 -38.88 73.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 75.200000000000003 109.334 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.467 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 0.4 OUTLIER -60.33 -25.67 65.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.439999999999998 109.308 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.578 HG21 ' CE1' ' A' ' 92' ' ' PHE . 23.7 mt -88.59 -33.49 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 61.119999999999997 109.262 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 96.3 mt -49.96 -62.08 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 63.310000000000002 109.263 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.479 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -48.96 -58.31 5.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 73.299999999999997 109.334 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.469 ' CD1' HG21 ' A' ' 112' ' ' ILE . 19.5 mt -40.42 -32.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 74.209999999999994 109.255 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.473 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . . . -87.67 -72.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 74.209999999999994 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.459 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 8.3 mtpp -40.87 -67.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 75.430000000000007 109.29 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.541 HG12 ' CZ ' ' A' ' 19' ' ' PHE . 90.7 t -38.7 -35.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 73.230000000000004 109.291 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 466' ' ' ALA . 3.0 t -73.83 -51.51 16.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 73.219999999999999 110.029 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -52.86 -41.59 64.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 75.450000000000003 110.297 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.499 ' SD ' ' CD2' ' A' ' 71' ' ' LEU . 10.4 mtm -51.44 -24.29 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 73.349999999999994 110.975 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 28.7 t80 -88.9 -25.06 22.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 75.310000000000002 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.93 -6.31 51.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 64.400000000000006 110.044 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 8.9 p -102.99 -48.96 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 74.209999999999994 109.282 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 474' ' ' VAL . 0.1 OUTLIER -39.59 -36.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 75.340000000000003 109.307 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 75.140000000000001 110.271 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.993 -0.843 . . . . 64.049999999999997 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.6 m -140.64 158.51 43.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 73.120000000000005 109.997 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -128.92 157.28 42.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 63.409999999999997 110.012 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.413 ' ND2' ' N ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -148.94 61.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 75.329999999999998 109.318 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.406 HD12 ' CZ ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -118.91 153.14 35.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 73.120000000000005 109.327 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 8' ' ' GLN . 4.6 p -78.1 163.4 25.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 74.310000000000002 110.432 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -56.63 -20.8 23.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 70.120000000000005 110.329 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -77.04 -26.08 53.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 73.340000000000003 110.277 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 5' ' ' THR . 2.3 mt-30 -84.08 -38.06 21.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 74.049999999999997 110.274 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.572 ' CG2' ' CZ ' ' A' ' 65' ' ' PHE . 2.0 mm -59.64 -31.74 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 73.349999999999994 109.282 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.08 -16.53 63.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 74.409999999999997 109.278 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 65.2 mt-10 -74.94 -71.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 55.399999999999999 110.269 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.503 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 47.9 m-85 -43.95 -26.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 64.409999999999997 111.012 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 19.5 mttt -49.07 -46.19 44.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 73.439999999999998 109.284 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -60.84 -49.78 76.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 72.299999999999997 110.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -59.63 -18.29 40.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 64.209999999999994 109.294 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CE1' HD11 ' A' ' 27' ' ' ILE . 1.7 t80 -81.97 -41.6 20.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 74.409999999999997 111.014 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -21.23 59.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 72.099999999999994 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 64.8 mt -49.95 -41.18 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 72.109999999999999 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.512 ' CE1' ' HB ' ' A' ' 35' ' ' VAL . 3.3 m-85 -110.36 -49.98 3.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.340000000000003 110.932 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -54.54 90.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 73.019999999999996 109.298 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' PHE . 58.6 mmtt -69.45 -66.92 0.52 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 123.595 1.664 . . . . 64.329999999999998 109.283 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.2 p30 -74.76 -17.01 60.7 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.884 -1.055 . . . . 63.100000000000001 110.016 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m120 63.06 65.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.150000000000006 109.288 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 35.1 p30 -99.44 -7.92 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 74.5 109.271 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.8 33.03 8.09 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 50.32 110.97 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.72 110.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 63.109999999999999 109.998 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 16' ' ' PHE . 94.5 mt -91.21 102.37 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 71.239999999999995 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.22 159.01 35.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 73.299999999999997 110.029 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.5 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 6.4 t -54.81 -18.87 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 73.540000000000006 110.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -29.81 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 73.049999999999997 110.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -90.13 -28.01 19.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 73.140000000000001 110.273 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -74.24 -51.91 13.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 74.010000000000005 109.306 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.417 ' N ' HD22 ' A' ' 32' ' ' LEU . . . -67.68 -12.36 60.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 75.299999999999997 109.294 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -30.46 68.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 63.32 110.419 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.512 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.1 t -83.63 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 75.340000000000003 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 41' ' ' LEU . 49.6 mmm -38.22 -53.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 72.430000000000007 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 38' ' ' SER . 8.9 ptm180 -59.18 -43.56 92.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 75.530000000000001 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.434 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.8 m -55.7 -35.03 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 72.150000000000006 110.003 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' O ' ' NZ ' ' A' ' 94' ' ' LYS . 21.1 mt -72.0 -22.59 61.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 75.519999999999996 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.85 2.88 8.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 63.310000000000002 110.95 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 24.8 mt -79.09 -172.13 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 71.040000000000006 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.455 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 93.1 p -164.26 61.82 0.94 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 53.409999999999997 109.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.1 Cg_endo -75.05 152.92 41.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 74.150000000000006 110.957 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -102.96 140.42 37.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 61.0 109.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 22.1 tt0 -48.22 -28.21 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 75.450000000000003 110.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.59 -50.21 74.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 54.25 109.308 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.466 ' HB3' ' CD2' ' A' ' 475' ' ' LEU . 1.5 mt-10 -77.36 -51.83 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 110.286 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.5 ' CG1' ' OG ' ' A' ' 29' ' ' SER . 53.1 t -40.47 -31.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 74.400000000000006 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 79.7 m-20 -65.64 -65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 72.519999999999996 109.288 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.0 -17.84 11.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 109.253 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -76.56 -56.19 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.019999999999996 109.309 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 61' ' ' HIS . 0.9 OUTLIER -74.78 -16.68 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.109999999999999 111.025 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -84.86 -7.96 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 74.319999999999993 109.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.23 -13.94 51.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 75.209999999999994 110.293 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' ASP . 2.1 mm -117.78 -39.68 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 72.200000000000003 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 4.8 t0 -37.57 119.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 73.430000000000007 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.473 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 72.0 t -94.12 -7.74 10.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-O 123.599 1.666 . . . . 72.230000000000004 109.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 49.5 p-10 -121.97 -10.79 8.59 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 117.935 -1.031 . . . . 75.109999999999999 110.002 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 62.73 36.63 93.57 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 71.120000000000005 111.001 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 32.3 p-10 -92.8 27.34 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 73.340000000000003 109.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.627 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 54.7 t60 45.58 40.87 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 72.420000000000002 109.616 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 40.4 mt-30 -160.54 164.37 32.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 64.519999999999996 110.291 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.86 125.03 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 65.450000000000003 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.478 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -88.9 172.57 9.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 110.295 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.0 t80 -72.6 -12.34 61.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 74.209999999999994 110.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 m -93.68 -46.39 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 75.239999999999995 109.986 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 14.5 mt-10 -65.81 -51.42 59.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 73.319999999999993 110.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -54.75 -42.72 72.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 72.040000000000006 110.964 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -70.09 -32.3 70.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 65.319999999999993 109.3 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -72.91 -16.74 61.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 74.019999999999996 109.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CD2' ' HE1' ' A' ' 471' ' ' MET . 7.2 tp -73.9 -53.66 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 64.140000000000001 109.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -56.12 -47.48 78.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 74.510000000000005 110.967 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.3 t -71.3 -15.88 62.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 73.530000000000001 110.026 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 4.0 ttt-85 -115.26 28.06 8.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 75.140000000000001 110.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.424 ' NE2' ' HG3' ' A' ' 471' ' ' MET . 0.9 OUTLIER -126.44 9.3 7.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 75.230000000000004 110.312 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.492 ' HA ' ' CB ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -125.72 117.52 23.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 72.329999999999998 109.296 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 4.6 mmpt? -120.37 -62.18 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 74.209999999999994 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.9 m -143.59 -79.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 53.210000000000001 109.997 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.43 45.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 73.540000000000006 109.342 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.492 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -84.15 -64.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 74.129999999999995 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' ASP . 2.4 t -38.04 -45.82 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 75.519999999999996 110.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.8 -50.49 70.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 75.519999999999996 110.288 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -54.31 -59.47 4.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 73.430000000000007 110.309 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -59.61 -22.47 61.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 73.120000000000005 110.265 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.536 ' CD1' ' CB ' ' A' ' 141' ' ' ALA . 0.3 OUTLIER -67.52 -66.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 73.010000000000005 109.299 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.98 -43.36 73.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 72.219999999999999 109.299 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.462 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 23.5 mm-40 -59.17 -38.02 78.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 74.329999999999998 110.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.483 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -90.91 -8.79 48.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 73.049999999999997 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.53 ' CG ' HD13 ' A' ' 137' ' ' ILE . 18.0 t80 -78.37 -59.82 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 71.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -40.41 97.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.319999999999993 109.311 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -54.56 -51.0 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 65.25 109.269 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.636 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 2.0 m-85 -67.44 -44.98 77.39 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 123.613 1.673 . . . . 75.340000000000003 110.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -70.91 98.87 1.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.881 -1.057 . . . . 74.129999999999995 109.972 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 39' ' ' LEU . 5.9 mmtt -84.97 -32.74 22.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 71.439999999999998 109.242 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -76.47 -44.23 36.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 72.200000000000003 109.317 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.59 78.5 1.18 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 72.239999999999995 111.032 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.37 11.59 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 73.340000000000003 109.367 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 70.22 18.41 74.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 53.329999999999998 110.973 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -150.55 110.8 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 74.140000000000001 109.265 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 92' ' ' PHE . 67.4 mt -73.1 99.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 75.409999999999997 109.287 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.9 p -63.75 168.66 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.120000000000005 110.026 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -42.73 -69.78 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 72.129999999999995 109.345 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.45 -66.59 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 75.099999999999994 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 92' ' ' PHE . 40.2 mt-10 -38.91 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 75.409999999999997 110.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 102' ' ' ALA . 40.8 tp -91.2 -73.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 74.439999999999998 109.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -46.01 -65.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 74.319999999999993 109.323 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.58 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -39.93 -46.32 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 64.010000000000005 109.603 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.636 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -60.4 -44.25 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.261 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 106' ' ' LYS . 1.5 mm? -67.37 -26.2 66.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 73.040000000000006 109.28 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.0 m -81.63 -27.54 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 74.319999999999993 110.375 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.444 ' OG ' ' HA ' ' A' ' 108' ' ' VAL . 0.1 OUTLIER -70.47 -6.71 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 75.010000000000005 110.011 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.457 ' CD1' HD21 ' A' ' 18' ' ' LEU . 14.4 pt -113.38 -32.2 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 74.340000000000003 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.5 -34.91 0.82 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 72.519999999999996 111.039 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.484 ' CG ' ' NZ ' ' A' ' 461' ' ' LYS . 3.9 mt-10 -64.82 104.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 63.350000000000001 110.29 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -105.87 104.64 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 73.239999999999995 109.285 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.468 ' CD2' ' HE1' ' A' ' 124' ' ' MET . 4.6 mp -112.39 143.66 43.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.340000000000003 109.287 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' GLU . 30.3 p -71.42 150.79 44.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 62.420000000000002 110.409 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.06 -26.2 6.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 73.549999999999997 109.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.3 -32.95 26.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 75.150000000000006 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 117' ' ' THR . 24.7 mm-40 -67.97 -43.79 78.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 75.329999999999998 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 106' ' ' LYS . 6.4 p -69.08 -50.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 73.510000000000005 109.306 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.454 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 19.7 t0 -48.35 -23.55 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 73.150000000000006 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 121' ' ' VAL . 2.2 t70 -91.08 -34.0 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 63.0 109.311 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 127' ' ' GLU . 22.0 ttm -66.49 -37.42 85.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 74.209999999999994 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 127' ' ' GLU . 8.6 mt -61.45 -56.16 23.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.209999999999994 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.42 ' HA ' ' OG ' ' A' ' 129' ' ' SER . 22.2 mtt-85 -37.61 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 110.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 124' ' ' MET . 25.5 mm-40 -47.36 -50.12 22.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 74.040000000000006 110.346 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 142' ' ' ALA . 32.5 m -131.58 13.02 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 109.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.1 p -99.44 6.67 45.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 65.400000000000006 109.979 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 129' ' ' SER . 47.9 t0 39.79 41.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 74.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 59.32 46.93 93.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.114 . . . . 65.439999999999998 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' SER . 29.6 t -103.72 -75.53 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 71.219999999999999 110.009 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.05 -16.38 1.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 72.129999999999995 111.045 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -139.71 156.54 46.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 75.219999999999999 110.266 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.44 ' HA ' ' NE2' ' A' ' 139' ' ' GLN . 2.2 pt -122.29 121.7 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 73.430000000000007 109.322 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.472 ' HB3' ' CD2' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -81.07 -172.17 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 73.230000000000004 109.296 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.53 HD13 ' CG ' ' A' ' 89' ' ' PHE . 10.8 tp -60.82 -25.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 75.340000000000003 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.421 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 4.7 mm-40 -82.87 -57.47 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 73.420000000000002 110.269 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.469 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 27.1 mt-30 -58.38 -53.84 53.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 73.310000000000002 110.269 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 136' ' ' ASN . 7.8 t80 -46.25 -42.48 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 72.120000000000005 111.048 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.536 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . . . -66.25 -30.61 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 75.510000000000005 109.339 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.484 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . . . -49.6 -33.7 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 75.010000000000005 109.286 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.52 -49.67 57.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 74.140000000000001 109.342 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 144' ' ' LEU . 1.3 mt -61.23 -15.5 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 109.272 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.0 m -124.42 42.47 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 74.439999999999998 110.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.413 ' O ' ' CG2' ' A' ' 150' ' ' THR . 16.6 tptt -119.16 82.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.209999999999994 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -122.15 53.1 0.73 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.514 1.134 . . . . 73.430000000000007 110.977 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 77.5 p -116.47 -50.58 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 71.340000000000003 110.017 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 p -101.59 12.96 36.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 53.450000000000003 110.0 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.474 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 14.5 p -101.39 174.88 5.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 61.119999999999997 110.382 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -175.51 -56.87 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.135 . . . . 74.310000000000002 111.007 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 5.7 m -155.21 23.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 70.530000000000001 110.402 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 19.1 mmm-85 -141.37 -48.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 75.25 110.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.474 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 41.2 mmt-85 -88.04 -26.19 22.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 72.430000000000007 110.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.418 ' N ' ' HB ' ' A' ' 150' ' ' THR . 0.7 OUTLIER -69.65 -22.18 63.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 73.439999999999998 109.348 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -89.49 -16.17 31.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 70.530000000000001 109.338 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.02 -46.33 78.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 71.340000000000003 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -74.99 -31.79 61.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 74.209999999999994 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.475 ' HA ' ' CD1' ' A' ' 463' ' ' LEU . 11.2 t30 -60.37 -41.82 94.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 75.140000000000001 109.301 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.484 ' NZ ' ' CG ' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -52.72 -29.46 27.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 65.409999999999997 109.293 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.454 HG23 ' CE1' ' A' ' 92' ' ' PHE . 9.0 mt -89.46 -30.33 5.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 73.530000000000001 109.261 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 67.8 mt -50.4 -45.99 55.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 74.019999999999996 109.242 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.475 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -69.7 -63.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 71.140000000000001 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.445 ' CG2' HD13 ' A' ' 39' ' ' LEU . 65.4 mt -41.85 -29.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 74.510000000000005 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.483 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -79.77 -58.58 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 65.310000000000002 109.304 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.444 ' CB ' ' HE3' ' A' ' 72' ' ' MET . 1.8 mttp -63.22 -66.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 72.109999999999999 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.486 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 96.7 t -39.2 -30.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 74.340000000000003 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 467' ' ' LYS . 5.5 t -76.51 -64.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 73.140000000000001 110.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.3 OUTLIER -46.08 -50.9 14.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 75.439999999999998 110.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.462 ' HE1' ' CD2' ' A' ' 71' ' ' LEU . 6.6 mtp -38.68 -34.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 110.966 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.47 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 46.7 t80 -78.91 -40.28 32.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 74.310000000000002 110.981 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 470' ' ' ARG . 48.4 t -68.6 -8.48 42.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 62.530000000000001 109.961 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.426 ' C ' ' N ' ' A' ' 476' ' ' ARG . 7.1 p -109.79 -42.25 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 71.450000000000003 109.316 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.54 -29.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 72.010000000000005 109.336 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . 0.426 ' N ' ' C ' ' A' ' 474' ' ' VAL . 3.4 tmt_? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 75.319999999999993 110.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 45.030000000000001 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 p -95.78 75.87 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 73.549999999999997 110.028 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -151.49 148.36 27.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 63.310000000000002 110.028 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.407 ' N ' ' ND2' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -136.14 28.86 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 73.219999999999999 109.305 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 12' ' ' PHE . 11.0 mt -73.49 168.14 19.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 75.010000000000005 109.293 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.3 p -125.14 160.73 28.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 75.549999999999997 110.386 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.03 -33.14 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 62.329999999999998 110.27 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -70.88 -36.01 72.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 72.530000000000001 110.299 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' THR . 11.3 mm100 -72.22 -28.95 63.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 110.329 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.419 HD13 ' N ' ' A' ' 9' ' ' ILE . 3.2 mm -67.06 -20.48 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 72.450000000000003 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.06 -12.56 57.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 75.319999999999993 109.277 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 45.3 mt-10 -76.05 -68.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 73.230000000000004 110.278 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.531 ' CE2' HD13 ' A' ' 4' ' ' LEU . 31.0 m-85 -44.02 -25.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 71.430000000000007 110.94 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -55.45 -46.47 76.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 74.409999999999997 109.353 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.455 ' HB3' ' CD ' ' A' ' 461' ' ' LYS . 6.7 mm-40 -63.52 -46.25 86.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 65.219999999999999 110.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -65.88 -15.33 62.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 75.230000000000004 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.0 t80 -80.6 -40.54 25.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 63.509999999999998 111.029 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -21.71 62.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.099999999999994 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 58.4 mt -48.25 -41.46 27.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 74.409999999999997 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CE1' ' HB ' ' A' ' 35' ' ' VAL . 6.5 m-85 -110.38 -40.77 4.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 74.519999999999996 111.023 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -63.47 83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 73.409999999999997 109.314 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -59.45 -67.15 0.41 Allowed 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 123.583 1.658 . . . . 73.120000000000005 109.274 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -77.69 -22.66 50.18 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.917 -1.04 . . . . 72.319999999999993 109.978 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 72.02 64.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 72.400000000000006 109.3 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -100.68 5.02 43.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 71.420000000000002 109.312 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.92 34.26 38.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 64.420000000000002 111.044 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.59 112.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 73.129999999999995 109.976 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' A' ' 16' ' ' PHE . 64.9 mt -93.71 99.78 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 71.400000000000006 109.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -66.49 -179.31 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 75.409999999999997 109.997 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.458 ' CB ' HG11 ' A' ' 48' ' ' VAL . 5.2 t -69.07 -39.92 78.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 72.239999999999995 109.985 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -20.55 66.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 70.400000000000006 110.015 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' O ' ' CG2' ' A' ' 34' ' ' THR . 41.5 mt-10 -90.59 -45.71 8.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 110.296 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' CD2' HG12 ' A' ' 48' ' ' VAL . 2.3 tt -61.87 -48.21 81.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 63.350000000000001 109.242 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.8 -11.94 60.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 43.210000000000001 109.347 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -70.26 -29.25 65.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 75.239999999999995 110.395 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.564 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.2 t -91.61 -60.62 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 71.319999999999993 109.295 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.2 mtp -41.35 -47.01 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 44.409999999999997 110.975 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' SER . 8.8 ptm180 -63.05 -40.42 97.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 74.540000000000006 110.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.425 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 22.1 m -61.21 -33.42 73.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 74.150000000000006 110.012 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 465' ' ' ILE . 25.3 mt -70.7 -22.57 62.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 74.030000000000001 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.5 4.59 8.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 74.400000000000006 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.3 mt -83.26 -177.53 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 74.019999999999996 109.288 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.474 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 6.3 t -163.53 60.57 0.92 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 74.299999999999997 109.974 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.541 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.2 Cg_endo -75.01 117.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 74.040000000000006 111.031 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 m -58.59 140.02 54.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 109.981 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 27.3 tt0 -46.52 -27.88 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 75.5 110.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.73 76.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 72.400000000000006 109.28 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 49' ' ' ASN . 3.0 mt-10 -75.25 -49.72 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 73.340000000000003 110.309 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.458 HG11 ' CB ' ' A' ' 29' ' ' SER . 55.2 t -40.41 -30.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 73.439999999999998 109.264 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' OD1' ' CE1' ' A' ' 61' ' ' HIS . 73.5 m-20 -72.9 -66.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 64.209999999999994 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.11 -18.6 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 61.020000000000003 109.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.505 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.6 tm? -79.22 -53.62 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 73.319999999999993 109.321 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 49' ' ' ASN . 15.1 ptm -80.28 -6.26 57.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 61.109999999999999 110.986 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' ASN . 3.9 m-80 -92.38 -7.99 46.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 75.420000000000002 109.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -89.04 -8.25 54.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 62.229999999999997 110.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.412 ' CD1' ' SD ' ' A' ' 471' ' ' MET . 1.8 mm -117.51 -45.75 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 63.420000000000002 109.367 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 3.3 t0 -38.96 120.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 72.549999999999997 109.318 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.76 -15.62 12.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-O 123.6 1.667 . . . . 63.109999999999999 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 48.2 p-10 -118.76 -7.7 10.46 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.88 -1.057 . . . . 62.0 109.975 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.8 41.43 94.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 73.349999999999994 111.022 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.451 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.4 p-10 -89.9 17.65 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 72.519999999999996 109.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.644 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 50.5 t60 59.87 30.91 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 72.530000000000001 109.583 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 47.6 mt-30 -156.09 149.56 24.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.430000000000007 110.268 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -104.28 127.26 58.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 72.099999999999994 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -90.66 171.1 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 74.120000000000005 110.302 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 t80 -70.63 -12.69 61.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 75.219999999999999 110.987 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.5 t -92.36 -47.53 7.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 71.439999999999998 110.017 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.35 -51.36 61.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 73.239999999999995 110.28 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.84 -44.46 73.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 70.409999999999997 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.499 ' HB2' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -68.96 -33.29 73.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 74.310000000000002 109.316 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -71.28 -24.38 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.329999999999998 109.294 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 27.5 tp -64.74 -50.56 66.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 75.209999999999994 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -58.26 -14.1 6.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 73.209999999999994 111.025 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.3 t -130.76 30.01 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 73.129999999999995 110.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.5 OUTLIER -149.35 19.6 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 70.329999999999998 110.31 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -148.69 30.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 73.140000000000001 110.311 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.522 ' HB3' ' CB ' ' A' ' 80' ' ' ASP . 68.5 mt -153.43 144.47 22.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 74.530000000000001 109.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -134.28 -87.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 70.109999999999999 109.294 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.9 m -76.01 -83.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 72.109999999999999 110.029 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.448 ' ND2' ' OE1' ' A' ' 83' ' ' GLN . 0.3 OUTLIER -75.56 58.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 64.319999999999993 109.315 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.522 ' CB ' ' HB3' ' A' ' 76' ' ' LEU . 3.3 t70 -59.05 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 73.430000000000007 109.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.512 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 0.4 OUTLIER -44.18 -55.29 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.420000000000002 109.991 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.15 -41.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 64.230000000000004 110.331 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.448 ' OE1' ' ND2' ' A' ' 79' ' ' ASN . 2.9 tp60 -61.58 -65.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 73.430000000000007 110.357 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.492 ' OE1' ' CD1' ' A' ' 463' ' ' LEU . 5.3 pt-20 -59.39 -14.22 11.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 73.430000000000007 110.3 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.466 HD12 ' CA ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -77.31 -49.65 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 109.29 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 87' ' ' GLU . 1.9 pp -74.13 -29.34 61.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 73.230000000000004 109.311 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.485 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 90.4 mt-10 -69.61 -34.41 74.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 110.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB1' ' CG2' ' A' ' 462' ' ' ILE . . . -91.09 -10.42 42.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.129999999999995 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CG ' HD13 ' A' ' 137' ' ' ILE . 33.2 t80 -75.21 -60.49 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 75.519999999999996 111.017 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 5.5 ptpt -63.39 -43.04 98.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 73.109999999999999 109.309 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.521 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -51.46 -50.85 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 74.310000000000002 109.334 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 3.3 m-85 -68.32 -44.42 75.42 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 123.65 1.69 . . . . 72.349999999999994 110.997 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -72.01 98.7 2.12 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.862 -1.066 . . . . 74.439999999999998 110.011 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -29.87 20.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.400000000000006 109.326 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -77.13 -49.86 14.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 74.409999999999997 109.256 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 91.15 68.49 1.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.108 . . . . 62.210000000000001 111.004 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -126.35 1.43 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 74.109999999999999 109.244 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.438 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 81.46 13.55 80.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.094 . . . . 72.099999999999994 111.034 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 136' ' ' ASN . 1.5 mt -148.57 114.44 5.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 75.120000000000005 109.283 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.444 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 65.8 mt -74.61 102.72 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 72.5 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.1 p -66.92 175.86 2.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 73.120000000000005 109.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -48.56 -69.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 72.319999999999993 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.507 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -41.49 -66.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 72.120000000000005 109.315 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ALA . 40.2 mt-10 -37.96 -30.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 75.109999999999999 110.257 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.5 tp -88.75 -72.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 74.25 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.507 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -47.25 -63.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 74.420000000000002 109.321 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.574 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -39.5 -42.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 71.430000000000007 109.612 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.2 t -67.11 -47.28 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 73.239999999999995 109.315 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 106' ' ' LYS . 3.0 mm? -57.13 -35.6 69.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 75.420000000000002 109.258 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.8 m -82.09 -13.78 56.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 63.409999999999997 110.355 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -3.72 57.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 74.5 109.976 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.472 HG22 ' CD1' ' A' ' 465' ' ' ILE . 10.8 pt -113.74 -33.3 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 74.349999999999994 109.278 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.74 -36.88 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 70.140000000000001 110.978 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 24.3 mm-40 -50.54 173.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 72.219999999999999 110.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 114' ' ' GLU . 21.3 mtpp -154.99 114.38 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 72.299999999999997 109.28 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 5.8 mt -131.77 130.44 41.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 73.019999999999996 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -67.85 159.4 30.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 71.319999999999993 110.388 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.51 -29.7 64.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 72.310000000000002 109.273 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.07 -20.08 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 74.439999999999998 109.278 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 116' ' ' LEU . 6.0 mt-10 -86.16 -29.56 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 75.530000000000001 110.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 106' ' ' LYS . 9.6 p -83.93 -54.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 71.140000000000001 109.325 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.442 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 14.4 t70 -47.46 -24.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.310000000000002 109.301 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 121' ' ' VAL . 6.2 t0 -91.23 -35.11 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 65.310000000000002 109.323 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 121' ' ' VAL . 21.7 ttm -55.68 -34.71 65.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 110.959 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 127' ' ' GLU . 0.5 OUTLIER -69.76 -55.08 10.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 71.5 109.266 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 125' ' ' LEU . 31.3 mtt180 -35.55 -33.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 75.030000000000001 110.286 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.0 mm-40 -43.61 -50.21 7.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 75.430000000000007 110.335 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.495 ' CB ' ' HB1' ' A' ' 142' ' ' ALA . 23.1 m -132.05 10.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 73.340000000000003 109.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.5 p -97.56 17.06 18.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 75.219999999999999 109.975 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.5 t0 40.77 45.11 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 74.409999999999997 109.266 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 57.48 43.14 94.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 72.5 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 129' ' ' SER . 30.9 t -103.61 -84.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 75.400000000000006 109.998 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.68 -24.28 0.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 73.109999999999999 110.987 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -120.4 156.75 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 74.319999999999993 110.358 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' A' ' 143' ' ' LEU . 4.7 pt -130.05 121.2 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 74.109999999999999 109.279 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.472 ' HB3' ' CD2' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -85.98 177.25 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 75.420000000000002 109.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.524 HD13 ' CG ' ' A' ' 89' ' ' PHE . 8.9 tp -51.07 -22.38 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 73.040000000000006 109.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.421 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 7.1 mm-40 -85.62 -57.11 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 71.540000000000006 110.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 22.4 mt-30 -62.53 -57.3 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 73.540000000000006 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.432 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 21.7 t80 -42.95 -50.61 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 74.099999999999994 110.996 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.466 ' CA ' HD12 ' A' ' 85' ' ' LEU . . . -53.31 -35.94 60.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 75.299999999999997 109.291 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.495 ' HB1' ' CB ' ' A' ' 128' ' ' VAL . . . -50.01 -34.08 20.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 60.520000000000003 109.263 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.453 ' CD1' HD13 ' A' ' 135' ' ' ILE . 1.4 mt -72.93 -43.98 61.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 61.329999999999998 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 459' ' ' ARG . 11.0 mt -86.83 11.77 12.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 72.540000000000006 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 141' ' ' ALA . 22.9 t -118.6 -34.46 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 72.319999999999993 109.979 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 -67.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 74.349999999999994 109.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 106.33 -115.64 4.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 73.519999999999996 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.9 t 176.97 113.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 73.120000000000005 110.003 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 59.9 m 56.68 57.65 4.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 110.014 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.46 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 43.7 p -106.19 -171.97 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 75.099999999999994 110.369 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.88 -81.45 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.579 1.174 . . . . 74.310000000000002 110.986 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 2.4 m -135.41 9.5 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 73.319999999999993 110.423 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -119.88 -47.8 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 71.409999999999997 110.289 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.46 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 16.5 mmt180 -82.71 -28.27 30.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 74.120000000000005 110.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -23.24 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 74.420000000000002 109.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -88.55 -16.07 33.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 74.319999999999993 109.27 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -51.0 45.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 75.430000000000007 109.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.448 ' HB2' ' CD2' ' A' ' 144' ' ' LEU . 4.1 ptp180 -60.72 -38.18 84.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 74.340000000000003 110.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.461 ' HA ' ' CD2' ' A' ' 463' ' ' LEU . 11.1 t30 -59.5 -45.38 91.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 73.340000000000003 109.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.47 ' HG3' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -44.38 -27.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 75.219999999999999 109.324 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.514 HG21 ' CE1' ' A' ' 92' ' ' PHE . 56.4 mt -89.33 -40.07 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 74.120000000000005 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.492 ' CD1' ' OE1' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -41.08 -34.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 73.120000000000005 109.288 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.489 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -83.52 -47.61 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 74.140000000000001 109.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.472 ' CD1' HG22 ' A' ' 112' ' ' ILE . 58.3 mt -50.62 -22.57 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 75.420000000000002 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -87.27 -72.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 60.210000000000001 109.308 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 469' ' ' SER . 21.2 mttp -45.44 -65.04 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 74.510000000000005 109.25 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.56 HG12 ' CZ ' ' A' ' 19' ' ' PHE . 95.7 t -38.72 -30.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 75.430000000000007 109.279 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.3 t -80.03 -68.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 64.209999999999994 109.979 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.531 ' CD ' ' CG2' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -43.12 -48.05 6.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 73.219999999999999 110.264 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.453 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 1.2 mtm -37.26 -40.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 70.540000000000006 111.001 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 7.3 t80 -56.55 -46.92 80.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 72.150000000000006 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 470' ' ' ARG . 1.0 OUTLIER -69.03 -31.81 70.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 61.219999999999999 110.002 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.531 ' CG2' ' CD ' ' A' ' 470' ' ' ARG . 40.5 t -66.74 -46.06 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 74.099999999999994 109.33 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.27 -36.95 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 73.040000000000006 109.279 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.340000000000003 110.285 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.008 -0.837 . . . . 64.319999999999993 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.0 m -118.23 163.61 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 73.150000000000006 110.01 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -170.03 147.02 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 74.510000000000005 109.983 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.8 25.31 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 55.450000000000003 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 12' ' ' PHE . 27.3 mt -66.77 153.8 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 74.519999999999996 109.26 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.2 p -125.45 167.19 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 64.409999999999997 110.379 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -45.98 -25.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 75.239999999999995 110.329 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 456' ' ' LYS . 6.4 tt0 -72.21 -39.95 68.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 64.150000000000006 110.276 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' THR . 6.1 mm-40 -69.4 -36.83 77.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 110.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.434 ' C ' ' N ' ' A' ' 11' ' ' GLU . 3.6 mm -59.47 -47.76 89.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 63.350000000000001 109.24 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.74 -18.42 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 73.400000000000006 109.265 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 9.9 mm-40 -83.14 -72.32 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 74.120000000000005 110.346 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' CE2' HD13 ' A' ' 4' ' ' LEU . 39.9 m-85 -51.05 -48.78 61.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 74.409999999999997 111.033 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.585 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -41.71 -39.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 71.430000000000007 109.325 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.525 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 69.1 mt-10 -69.45 -43.55 73.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 74.400000000000006 110.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -62.19 -20.13 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 73.530000000000001 109.293 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.597 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.9 t80 -76.18 -35.15 59.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 72.329999999999998 111.01 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.28 -23.65 66.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 72.109999999999999 109.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' CD2' ' HG3' ' A' ' 461' ' ' LYS . 59.8 mt -45.43 -39.57 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 61.439999999999998 109.293 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.563 ' CE2' ' HB ' ' A' ' 35' ' ' VAL . 16.8 m-85 -107.37 -56.26 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 75.239999999999995 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.597 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -46.78 95.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 72.549999999999997 109.328 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' PHE . 42.4 mmtt -68.36 -67.58 0.46 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 123.682 1.706 . . . . 75.140000000000001 109.281 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 22' ' ' ASP . 2.7 p30 -78.64 -2.52 39.45 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 117.874 -1.06 . . . . 71.319999999999993 109.978 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 48.47 62.59 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 64.340000000000003 109.325 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.8 p30 -93.0 -26.71 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 74.129999999999995 109.325 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 112.63 32.9 2.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 61.219999999999999 110.959 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.28 115.02 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 75.519999999999996 110.027 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 89.2 mt -93.98 100.24 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 70.409999999999997 109.323 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 p -64.89 168.61 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 72.540000000000006 110.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.476 ' CB ' HG12 ' A' ' 48' ' ' VAL . 1.4 t -67.93 -17.52 64.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 73.340000000000003 109.979 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -26.94 28.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 75.310000000000002 109.993 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -90.66 -32.94 16.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.420000000000002 110.264 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' CD2' HG13 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -69.93 -51.32 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 64.239999999999995 109.325 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -68.11 -12.75 61.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 72.319999999999993 109.321 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.74 -26.19 61.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 73.310000000000002 110.397 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.563 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 1.6 t -86.45 -56.69 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 73.319999999999993 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.473 ' SD ' ' CD1' ' A' ' 41' ' ' LEU . 50.9 mmm -42.41 -50.58 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 63.32 110.982 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' SER . 7.6 ptm180 -62.86 -40.67 98.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 73.239999999999995 110.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 68.5 m -56.41 -19.19 13.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 70.209999999999994 110.011 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 465' ' ' ILE . 19.4 mt -92.59 -21.8 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 74.140000000000001 109.354 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.74 3.2 8.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 74.140000000000001 111.049 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 35.3 mt -80.29 -178.78 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 73.120000000000005 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.1 t -161.3 60.56 1.24 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.409999999999997 109.964 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 74.310000000000002 110.98 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.99 140.37 49.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 72.530000000000001 110.012 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -48.69 -28.25 3.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 73.230000000000004 110.351 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.9 -49.64 75.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 75.099999999999994 109.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.1 mt-10 -74.86 -50.34 17.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 75.400000000000006 110.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.476 HG12 ' CB ' ' A' ' 29' ' ' SER . 53.6 t -40.9 -37.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 63.219999999999999 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 92.6 m-20 -65.61 -62.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 71.230000000000004 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.46 -14.13 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 75.140000000000001 109.302 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.5 tm? -78.91 -54.51 5.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 109.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.483 ' CE ' ' O ' ' A' ' 27' ' ' ILE . 7.3 ptm -79.55 -14.03 59.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 74.129999999999995 110.997 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 8.3 m-80 -84.53 -8.03 59.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 72.329999999999998 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -88.75 -12.49 42.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 50.350000000000001 110.301 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 56' ' ' ASP . 2.7 mm -116.53 -37.79 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.310000000000002 109.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.1 t0 -38.24 120.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.129999999999995 109.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 19.9 t -83.16 -21.04 9.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-O 123.593 1.664 . . . . 73.329999999999998 109.322 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.501 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 49.8 p30 -113.25 -5.78 13.61 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.912 -1.042 . . . . 75.099999999999994 110.011 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 55.62 42.97 85.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 111.005 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 33.6 p-10 -92.52 13.88 18.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 72.230000000000004 109.284 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.673 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 22.2 t60 66.4 26.07 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 75.310000000000002 109.594 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 38.7 mt-30 -150.77 164.23 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 75.409999999999997 110.348 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.29 129.78 68.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 75.409999999999997 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.49 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -96.12 175.5 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 74.129999999999995 110.319 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.7 t80 -75.82 -12.32 60.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 73.209999999999994 110.991 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -92.35 -30.87 15.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 72.409999999999997 109.976 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 18.1 mt-10 -84.17 -52.22 6.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 71.120000000000005 110.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -54.17 -48.22 71.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 74.329999999999998 110.975 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' HB2' ' CB ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -67.09 -32.44 73.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 63.009999999999998 109.336 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.17 -15.74 58.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 65.319999999999993 109.319 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.481 ' CD1' ' HG3' ' A' ' 75' ' ' GLN . 9.6 tp -75.57 -44.26 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 75.349999999999994 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -61.6 -36.26 80.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 75.510000000000005 111.011 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 p -88.43 15.63 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 72.230000000000004 110.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -146.86 39.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 72.430000000000007 110.326 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.481 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 4.6 mm100 -143.36 20.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 74.239999999999995 110.266 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.5 ' CB ' ' HB3' ' A' ' 80' ' ' ASP . 6.4 mp -129.98 136.42 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 75.129999999999995 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.26 -86.82 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 73.319999999999993 109.282 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.39 -80.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 73.219999999999999 109.977 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.46 43.7 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 75.5 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.5 ' HB3' ' CB ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -51.86 -90.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 65.150000000000006 109.317 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 80' ' ' ASP . 0.4 OUTLIER -35.75 -59.53 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 64.209999999999994 110.004 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -39.33 -48.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 110.275 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 80' ' ' ASP . 2.8 tp60 -56.7 -64.31 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 75.120000000000005 110.314 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 7.9 pt-20 -59.26 -15.22 14.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 71.230000000000004 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -77.31 -67.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 71.400000000000006 109.233 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -51.57 -38.24 53.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.409999999999997 109.236 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 29.9 mm-40 -69.93 -59.94 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 74.310000000000002 110.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -61.47 -13.86 24.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 70.239999999999995 109.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.521 ' CG ' HD13 ' A' ' 137' ' ' ILE . 55.1 t80 -85.11 -42.07 15.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.319999999999993 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -84.53 -9.14 58.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 74.230000000000004 109.298 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -89.59 -45.08 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.230000000000004 109.292 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.607 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 2.1 m-85 -68.35 -41.78 80.22 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 123.614 1.674 . . . . 74.019999999999996 110.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.71 100.84 2.92 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.876 -1.059 . . . . 73.0 109.988 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.47 -35.03 23.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 75.129999999999995 109.276 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.455 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -73.36 -44.54 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 74.109999999999999 109.281 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.92 78.71 1.09 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 62.439999999999998 110.974 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -136.72 8.69 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 75.239999999999995 109.302 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.508 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 75.05 15.76 80.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 75.129999999999995 111.034 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 1.1 mt -149.95 110.63 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 72.540000000000006 109.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.425 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 64.0 mt -73.82 96.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 63.530000000000001 109.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.8 t -59.9 174.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.450000000000003 109.98 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -50.53 -66.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 71.109999999999999 109.255 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.484 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -42.25 -65.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 54.520000000000003 109.314 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -39.18 -28.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 75.010000000000005 110.295 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.446 ' N ' ' C ' ' A' ' 103' ' ' ALA . 0.6 OUTLIER -90.59 -72.86 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 74.409999999999997 109.324 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.484 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -45.25 -59.36 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 70.409999999999997 109.296 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.551 ' CD2' HG22 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.82 -38.38 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 73.200000000000003 109.602 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.607 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -72.84 -37.85 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 75.329999999999998 109.352 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 1.6 mm? -64.31 -36.01 82.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 74.349999999999994 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.2 m -74.58 -32.34 62.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 74.25 110.388 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -14.92 20.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.040000000000006 109.992 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.475 ' CG2' HD13 ' A' ' 465' ' ' ILE . 10.4 pt -109.55 -32.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 73.310000000000002 109.277 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.03 -40.12 0.76 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 74.239999999999995 111.06 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 109' ' ' LEU . 22.9 mm-40 -49.18 111.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 70.209999999999994 110.309 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -110.59 97.16 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 75.329999999999998 109.276 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.47 ' CD2' ' HE1' ' A' ' 124' ' ' MET . 5.3 mp -113.86 146.96 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 73.140000000000001 109.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.9 p -76.61 155.51 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 73.109999999999999 110.4 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.47 -24.65 32.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.519999999999996 109.317 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.82 -28.11 28.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.099999999999994 109.303 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -75.29 -49.33 19.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 74.230000000000004 110.311 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 9.8 p -63.05 -52.89 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 72.129999999999995 109.342 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.467 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 4.2 t70 -47.53 -24.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 74.140000000000001 109.284 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 121' ' ' VAL . 3.1 t0 -91.15 -35.59 14.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 74.25 109.308 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.47 ' HE1' ' CD2' ' A' ' 116' ' ' LEU . 33.1 ttm -60.41 -35.14 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 74.409999999999997 111.022 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 127' ' ' GLU . 6.2 mt -63.56 -51.44 65.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 71.340000000000003 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 29.8 mtt180 -37.5 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 75.019999999999996 110.335 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 89.4 mt-10 -44.75 -49.31 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 72.140000000000001 110.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.493 ' CG1' ' HB2' ' A' ' 142' ' ' ALA . 20.8 m -130.65 8.9 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 63.439999999999998 109.308 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 132' ' ' SER . 1.3 p -97.21 1.69 50.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 70.239999999999995 109.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.4 t70 42.14 28.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.299 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 129' ' ' SER . . . 72.51 45.33 37.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.117 . . . . 63.020000000000003 111.035 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.9 OUTLIER -96.83 -70.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 75.319999999999993 109.951 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.58 -13.12 1.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 63.109999999999999 110.984 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.432 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 26.1 mt-10 -149.51 161.55 41.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 74.420000000000002 110.277 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.408 ' HA ' ' NE2' ' A' ' 139' ' ' GLN . 5.4 pt -127.84 129.92 69.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 64.200000000000003 109.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.432 ' OD1' ' CD2' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -95.69 -174.99 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 72.400000000000006 109.298 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.521 HD13 ' CG ' ' A' ' 89' ' ' PHE . 11.0 tp -56.36 -17.39 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 75.109999999999999 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -88.87 -52.17 5.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 62.350000000000001 110.291 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 142' ' ' ALA . 29.7 mt-30 -68.74 -56.77 6.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 73.530000000000001 110.305 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 136' ' ' ASN . 19.4 t80 -44.15 -47.29 9.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 111.001 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.468 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . . . -64.02 -30.68 71.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 73.549999999999997 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.493 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . . . -52.69 -23.11 6.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 62.43 109.275 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.45 -49.55 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.439999999999998 109.308 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.443 ' CD2' ' HB2' ' A' ' 459' ' ' ARG . 0.9 OUTLIER -86.7 11.09 13.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 74.200000000000003 109.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 141' ' ' ALA . 34.2 t -113.77 -22.49 10.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 110.033 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.489 ' O ' ' CG2' ' A' ' 150' ' ' THR . 0.1 OUTLIER -173.52 -77.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 109.361 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 148' ' ' SER . . . 102.2 137.46 9.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 72.349999999999994 111.024 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 147' ' ' GLY . 0.4 OUTLIER -38.32 -36.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.75 . . . . 63.340000000000003 109.962 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 12.2 m -166.3 115.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 74.129999999999995 109.967 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 146' ' ' LYS . 7.3 p -142.85 114.6 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 74.5 110.425 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.426 ' O ' ' CE ' ' A' ' 456' ' ' LYS . . . -118.64 -80.91 0.73 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 50.350000000000001 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 7.1 m -135.71 9.77 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 73.219999999999999 110.402 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.44 -51.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 74.120000000000005 110.265 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -77.46 -18.29 57.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 72.329999999999998 110.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -75.85 -18.24 59.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 74.310000000000002 109.269 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . 0.449 ' CB ' ' OE2' ' A' ' 14' ' ' GLU . . . -86.19 -16.15 38.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.439999999999998 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.96 -51.43 47.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 63.43 109.282 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.443 ' HB2' ' CD2' ' A' ' 144' ' ' LEU . 1.5 ptp180 -60.25 -37.61 80.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 74.430000000000007 110.269 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 11' ' ' GLU . 16.2 t30 -59.55 -34.9 73.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 63.119999999999997 109.273 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.473 ' HG3' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -53.73 -28.69 35.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 72.049999999999997 109.292 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 25.6 mt -90.07 -30.13 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 72.329999999999998 109.285 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 460' ' ' ASN . 6.5 mp -50.99 -37.81 47.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 72.510000000000005 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.467 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -77.53 -54.39 6.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 65.319999999999993 109.298 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.475 HD13 ' CG2' ' A' ' 112' ' ' ILE . 10.0 mt -51.7 -25.33 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 72.239999999999995 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 88' ' ' ALA . . . -87.22 -60.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.549999999999997 109.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 470' ' ' ARG . 7.0 mttm -58.13 -65.53 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 74.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.555 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 67.4 t -38.71 -30.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 73.239999999999995 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.9 OUTLIER -79.3 -51.52 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 72.5 110.031 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.3 tmt_? -53.78 -41.25 67.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.349999999999994 110.341 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.462 ' HA ' ' CG1' ' A' ' 474' ' ' VAL . 6.3 mtp -50.76 -20.99 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 75.209999999999994 110.967 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 26.2 t80 -89.54 -26.91 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 74.120000000000005 111.012 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.4 t -90.56 -3.23 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.340000000000003 109.984 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 9.9 p -106.43 -48.69 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 73.420000000000002 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.07 -34.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 73.120000000000005 109.279 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 71.299999999999997 110.278 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 74.129999999999995 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 m -127.95 136.77 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 70.239999999999995 110.026 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -124.4 159.31 30.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 75.340000000000003 109.996 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.46 24.64 7.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 75.310000000000002 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 12' ' ' PHE . 9.6 mt -101.18 141.37 34.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.129999999999995 109.261 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.3 p -98.51 162.25 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 71.319999999999993 110.36 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -40.97 -39.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.519999999999996 110.323 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -67.36 -44.37 79.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 64.439999999999998 110.281 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.444 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.8 mm100 -57.7 -31.42 66.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.519999999999996 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.533 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.3 mm -69.68 -22.19 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 72.349999999999994 109.325 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.58 -12.71 57.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 64.400000000000006 109.311 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 66.2 mt-10 -76.3 -62.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 75.319999999999993 110.273 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 4' ' ' LEU . 32.5 m-85 -53.54 -21.76 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 74.030000000000001 111.022 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.576 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 10.3 mmtt -51.72 -47.39 64.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 73.340000000000003 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.9 -45.82 66.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.019999999999996 110.311 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.567 ' O ' ' CZ ' ' A' ' 68' ' ' PHE . . . -60.91 -15.49 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 71.400000000000006 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 4.3 t80 -85.42 -41.58 15.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 74.209999999999994 110.963 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -24.31 64.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 73.530000000000001 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 73.2 mt -44.33 -40.59 5.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 72.340000000000003 109.286 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 7.6 m-85 -112.39 -36.91 5.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 74.439999999999998 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -67.51 86.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.109999999999999 109.312 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -62.52 -66.61 0.51 Allowed 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.6 1.667 . . . . 73.040000000000006 109.259 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.84 -11.38 59.97 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.878 -1.058 . . . . 75.319999999999993 110.004 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 55.94 57.78 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 72.450000000000003 109.298 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 11.3 p30 -91.69 -21.33 20.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 75.420000000000002 109.325 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 106.05 34.56 3.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.114 . . . . 62.109999999999999 111.005 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.97 112.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 74.430000000000007 110.007 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.554 HD13 ' CE1' ' A' ' 16' ' ' PHE . 61.9 mt -95.25 99.2 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.329999999999998 109.281 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -67.49 161.95 24.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 60.530000000000001 110.044 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.469 ' CB ' HG13 ' A' ' 48' ' ' VAL . 2.2 t -57.04 -17.27 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 62.399999999999999 109.999 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.56 -25.39 26.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 71.329999999999998 109.993 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' CG2' ' A' ' 34' ' ' THR . 42.9 mt-10 -90.67 -33.34 15.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 65.219999999999999 110.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 33' ' ' ALA . 1.3 tt -68.2 -52.59 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 72.510000000000005 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . . . -66.67 -12.13 56.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.430000000000007 109.342 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -68.82 -26.06 64.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 64.519999999999996 110.353 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.567 ' HB ' ' CD2' ' A' ' 19' ' ' PHE . 2.0 t -89.8 -61.45 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 75.319999999999993 109.293 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.568 ' HE3' ' CD2' ' A' ' 472' ' ' PHE . 82.3 mtp -41.12 -53.6 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 73.519999999999996 111.022 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.484 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.4 ptp180 -60.27 -42.69 95.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 110.322 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 37.1 m -56.09 -36.28 67.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 73.409999999999997 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 465' ' ' ILE . 20.1 mt -69.77 -22.54 63.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 71.030000000000001 109.302 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.1 2.45 8.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 73.540000000000006 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD12 ' CA ' ' A' ' 36' ' ' MET . 5.9 mt -77.42 -172.82 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 74.349999999999994 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -163.39 61.65 1.05 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 75.099999999999994 109.957 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 139.87 24.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 73.319999999999993 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 p -84.14 140.47 31.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 55.43 110.043 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 24.7 tt0 -51.87 -27.56 13.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 74.230000000000004 110.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.97 74.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 75.409999999999997 109.304 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.31 -51.58 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 71.349999999999994 110.297 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.469 HG13 ' CB ' ' A' ' 29' ' ' SER . 55.5 t -40.47 -34.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 73.049999999999997 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 87.8 m-20 -65.0 -64.93 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 53.219999999999999 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -58.22 -16.57 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 73.310000000000002 109.271 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.3 tm? -77.41 -55.37 5.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 75.219999999999999 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 27' ' ' ILE . 1.3 ptp -77.66 -14.0 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 63.530000000000001 111.008 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -86.45 -8.02 57.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 61.100000000000001 109.288 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.453 ' C ' ' CD1' ' A' ' 55' ' ' ILE . 6.3 mm-40 -91.02 -7.55 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 73.5 110.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.453 ' CD1' ' C ' ' A' ' 54' ' ' GLU . 1.1 mm -117.73 -46.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 72.129999999999995 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 3.5 t0 -38.68 120.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 74.040000000000006 109.318 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.98 -18.48 11.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.631 1.682 . . . . 65.430000000000007 109.31 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.8 p-10 -114.4 -7.25 12.89 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.919 -1.039 . . . . 63.140000000000001 109.994 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.26 41.04 92.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 64.540000000000006 110.975 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.2 p-10 -90.15 17.32 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 71.019999999999996 109.258 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.656 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 55.2 t60 59.25 34.4 23.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 63.210000000000001 109.596 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 44.8 mt-30 -158.81 148.94 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 74.439999999999998 110.334 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.67 127.42 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 74.239999999999995 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.562 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -91.57 179.44 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 72.049999999999997 110.297 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.618 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.9 t80 -76.16 -12.88 60.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 73.030000000000001 111.025 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.3 t -94.73 -40.65 9.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 74.219999999999999 110.011 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.83 -50.02 46.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 64.549999999999997 110.322 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 79.3 t80 -57.71 -40.81 80.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.150000000000006 110.981 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.516 ' HB2' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -69.99 -33.59 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 73.099999999999994 109.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -74.29 -16.14 60.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.468 ' CD2' ' HE3' ' A' ' 471' ' ' MET . 58.9 tp -75.14 -48.83 21.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.340000000000003 109.273 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.446 ' CA ' ' NZ ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -57.11 -36.68 70.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 73.099999999999994 110.99 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -93.25 11.82 26.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 75.549999999999997 109.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.4 OUTLIER -140.85 26.46 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 72.329999999999998 110.308 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.443 ' CG ' HD12 ' A' ' 71' ' ' LEU . 6.8 mm100 -118.03 42.17 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 75.219999999999999 110.344 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -141.63 133.43 27.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 73.140000000000001 109.28 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -125.86 -64.1 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 75.239999999999995 109.267 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.9 m -134.83 -71.67 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 74.129999999999995 109.975 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.72 57.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 60.43 109.329 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.479 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -89.38 -58.39 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 75.239999999999995 109.269 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' ASP . 30.3 t -38.84 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 72.219999999999999 110.02 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' ASP . 16.3 mt-10 -85.77 -50.41 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 74.010000000000005 110.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 3.8 mm-40 -50.62 -40.26 52.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 70.230000000000004 110.267 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -68.93 -28.65 66.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 74.549999999999997 110.263 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.474 ' CD2' ' HB1' ' A' ' 141' ' ' ALA . 8.2 mt -70.63 -58.36 3.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 70.540000000000006 109.289 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.79 -45.14 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 62.350000000000001 109.324 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.521 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 5.3 mm-40 -54.33 -45.17 72.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 72.049999999999997 110.311 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.474 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -76.89 -28.8 55.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 72.549999999999997 109.317 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 9.0 t80 -63.48 -64.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 74.340000000000003 111.037 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -29.95 69.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 65.310000000000002 109.273 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 2.2 t -63.57 -54.59 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 74.519999999999996 109.325 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.647 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.8 m-85 -66.08 -40.09 90.57 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.627 1.679 . . . . 72.120000000000005 111.031 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.27 97.43 2.99 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.868 -1.063 . . . . 75.140000000000001 109.98 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -31.22 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 75.140000000000001 109.289 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.468 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.96 -45.47 27.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 75.140000000000001 109.3 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.59 77.72 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 52.310000000000002 111.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.88 10.38 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 73.109999999999999 109.302 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.504 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 69.87 18.9 74.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 61.149999999999999 111.014 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.3 mt -149.86 114.69 5.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 75.349999999999994 109.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.5 mt -80.63 104.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 73.540000000000006 109.314 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 t -71.4 -174.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 75.010000000000005 110.009 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.479 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -53.66 -71.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 51.299999999999997 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.505 ' HA ' ' CG ' ' A' ' 106' ' ' LYS . . . -40.83 -66.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 74.549999999999997 109.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' ALA . 74.6 mt-10 -38.38 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.109999999999999 110.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -94.38 -73.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 74.430000000000007 109.302 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 103' ' ' ALA . 1.1 ptmm? -45.6 -56.18 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 75.409999999999997 109.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.544 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.87 -42.88 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 73.409999999999997 109.575 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.647 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -66.07 -49.39 76.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 71.439999999999998 109.326 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.488 ' O ' ' CG1' ' A' ' 112' ' ' ILE . 1.2 mt -59.63 -26.87 65.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 73.400000000000006 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 1.8 m -85.08 -10.27 57.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 110.403 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.4 t -85.4 -0.29 54.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 74.049999999999997 109.965 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 109' ' ' LEU . 6.3 pt -109.67 -32.91 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 74.25 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 145.08 -35.9 1.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 71.420000000000002 110.99 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -61.15 173.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 75.349999999999994 110.358 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 1.0 OUTLIER -156.56 129.52 7.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 73.129999999999995 109.27 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.539 ' CD2' ' CE ' ' A' ' 124' ' ' MET . 1.6 mp -124.1 143.99 50.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 74.200000000000003 109.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.2 p -73.41 154.14 40.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 74.239999999999995 110.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -27.77 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 75.299999999999997 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.27 -23.89 30.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 74.209999999999994 109.324 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -76.07 -57.11 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 73.5 110.319 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.526 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 0.7 OUTLIER -59.34 -50.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 75.299999999999997 109.316 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.526 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 15.5 t70 -49.64 -26.1 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 70.019999999999996 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -32.44 16.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 65.150000000000006 109.312 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.539 ' CE ' ' CD2' ' A' ' 116' ' ' LEU . 56.4 ttm -58.19 -37.9 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 74.120000000000005 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 127' ' ' GLU . 0.3 OUTLIER -66.16 -57.02 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 72.129999999999995 109.284 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 125' ' ' LEU . 45.5 mtt180 -35.21 -33.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 75.409999999999997 110.265 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 125' ' ' LEU . 77.9 mt-10 -42.76 -51.18 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 74.219999999999999 110.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.501 ' CB ' ' HB1' ' A' ' 142' ' ' ALA . 33.1 m -132.84 11.83 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 73.420000000000002 109.309 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.3 p -96.76 13.86 27.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 71.329999999999998 109.995 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.6 t70 40.01 46.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 73.430000000000007 109.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.86 44.37 87.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 50.310000000000002 110.983 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 129' ' ' SER . 28.9 t -104.7 -82.57 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 74.319999999999993 110.024 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 158.97 -24.41 0.33 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 73.340000000000003 110.939 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -120.19 174.59 6.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 0.76 . . . . 74.230000000000004 110.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 143' ' ' LEU . 9.0 pt -147.13 126.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 71.310000000000002 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 138' ' ' GLN . 0.2 OUTLIER -90.49 173.58 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 75.230000000000004 109.257 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 85' ' ' LEU . 5.8 tp -45.27 -26.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 71.239999999999995 109.315 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.426 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 3.6 mm-40 -80.88 -58.42 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 74.439999999999998 110.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 21.2 mt-30 -63.16 -56.46 16.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 72.439999999999998 110.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.439 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 44.8 t80 -42.3 -50.45 5.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 73.310000000000002 110.964 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.474 ' HB1' ' CD2' ' A' ' 85' ' ' LEU . . . -61.27 -34.41 75.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 64.329999999999998 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 146' ' ' LYS . . . -46.55 -37.36 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 72.409999999999997 109.331 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.0 OUTLIER -65.1 -43.97 90.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 72.120000000000005 109.293 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 144' ' ' LEU . 2.6 mt -69.24 -11.13 60.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 72.430000000000007 109.326 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.4 m -136.41 43.8 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 65.340000000000003 110.026 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 142' ' ' ALA . 30.9 tptt -176.03 110.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 74.340000000000003 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.48 ' O ' ' CG2' ' A' ' 150' ' ' THR . . . -154.24 88.56 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 75.239999999999995 111.01 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 56.7 m -81.2 146.74 30.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 73.5 110.034 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 m 40.58 67.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 62.020000000000003 110.033 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 151' ' ' GLY . 31.4 p -81.37 -69.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 71.049999999999997 110.332 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 453' ' ' THR . . . 66.94 27.95 73.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 74.540000000000006 111.017 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 151' ' ' GLY . 1.5 m 83.17 23.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 0.752 . . . . 74.310000000000002 110.426 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -117.18 -35.28 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 72.120000000000005 110.313 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.487 ' HB2' ' CG2' ' A' ' 150' ' ' THR . 11.3 mmt85 -93.86 -44.84 7.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 75.420000000000002 110.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 459' ' ' ARG . 5.0 ptmt -59.3 -21.75 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 63.329999999999998 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -92.05 -16.71 26.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 75.219999999999999 109.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . 0.457 HD11 ' CE ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -82.08 -64.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 75.109999999999999 109.288 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.471 ' CZ ' ' HA ' ' A' ' 456' ' ' LYS . 4.1 ptp85 -58.66 -27.87 65.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 74.439999999999998 110.355 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.456 ' HA ' ' CD2' ' A' ' 463' ' ' LEU . 10.0 t30 -69.93 -39.07 76.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 73.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -54.24 -29.37 46.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.129999999999995 109.291 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 92' ' ' PHE . 14.8 mt -86.18 -28.82 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 460' ' ' ASN . 0.1 OUTLIER -58.64 -40.68 84.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 74.129999999999995 109.314 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.469 ' CA ' HG22 ' A' ' 468' ' ' VAL . . . -73.96 -59.5 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 74.109999999999999 109.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.458 ' CG2' HD12 ' A' ' 39' ' ' LEU . 19.0 mt -42.8 -30.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 73.25 109.286 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -86.84 -71.96 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.049999999999997 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 470' ' ' ARG . 25.1 mtpt -45.4 -61.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 73.25 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.49 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 58.3 t -46.72 -46.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 74.120000000000005 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 26.9 t -65.98 -27.0 67.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 75.239999999999995 110.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -74.21 -44.95 51.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 74.420000000000002 110.302 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.468 ' HE3' ' CD2' ' A' ' 71' ' ' LEU . 2.3 mtm -45.21 -23.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 74.25 111.001 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.568 ' CD2' ' HE3' ' A' ' 36' ' ' MET . 18.1 t80 -88.71 -33.79 17.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 75.510000000000005 111.032 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 470' ' ' ARG . 2.7 m -80.98 -1.93 45.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 65.25 109.995 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 12.0 p -111.69 -47.16 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 74.040000000000006 109.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.27 -36.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 64.049999999999997 109.27 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 74.150000000000006 110.232 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.041 -0.823 . . . . 54.539999999999999 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.9 p -68.77 74.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 73.420000000000002 110.019 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.32 150.98 30.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 73.450000000000003 109.982 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -137.05 26.26 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 74.239999999999995 109.252 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.536 HD13 ' CE2' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -92.01 147.83 22.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 73.340000000000003 109.28 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.6 p -96.27 160.06 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 73.239999999999995 110.39 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -40.04 -39.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 62.229999999999997 110.351 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.87 -46.48 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 62.210000000000001 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 5' ' ' THR . 12.6 mm100 -56.07 -30.59 62.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 74.120000000000005 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.8 mm -67.9 -27.1 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.540000000000006 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.79 -12.55 59.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 74.140000000000001 109.257 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.48 ' CD ' ' CD ' ' A' ' 456' ' ' LYS . 6.0 mm-40 -76.05 -71.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 71.129999999999995 110.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' CE2' HD13 ' A' ' 4' ' ' LEU . 38.8 m-85 -41.17 -28.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 71.140000000000001 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 29.5 mttt -50.68 -49.03 58.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 63.140000000000001 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 461' ' ' LYS . 72.3 mt-10 -61.34 -43.85 98.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.519999999999996 110.252 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' O ' ' CZ ' ' A' ' 68' ' ' PHE . . . -66.39 -15.2 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 71.420000000000002 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 27' ' ' ILE . 4.5 t80 -85.94 -37.81 18.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 72.409999999999997 110.999 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.07 -19.96 63.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 63.130000000000003 109.252 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 52.9 mt -49.76 -41.77 44.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 62.219999999999999 109.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE2' ' HB ' ' A' ' 35' ' ' VAL . 3.1 m-85 -109.75 -47.2 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.510000000000005 111.027 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.54 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -58.25 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 60.43 109.286 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' CE ' ' CG2' ' A' ' 34' ' ' THR . 31.4 mmtt -66.85 -67.14 0.47 Allowed 'General case' 0 C--O 1.215 -0.734 0 CA-C-O 123.638 1.685 . . . . 74.439999999999998 109.27 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -75.7 -8.27 56.4 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 117.887 -1.054 . . . . 72.239999999999995 109.981 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.9 m-80 52.0 61.39 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 74.310000000000002 109.295 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.4 p30 -91.72 -22.57 20.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 72.099999999999994 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 110.04 31.06 3.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 64.5 111.004 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.94 111.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 71.329999999999998 109.985 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 16' ' ' PHE . 94.9 mt -91.15 104.27 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 75.120000000000005 109.279 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.54 158.85 35.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 70.25 109.975 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.427 ' CB ' HG12 ' A' ' 48' ' ' VAL . 1.5 t -55.14 -24.31 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 75.120000000000005 109.996 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.7 -26.15 44.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 74.310000000000002 109.943 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.503 ' O ' ' CG2' ' A' ' 34' ' ' THR . 40.1 mt-10 -90.59 -30.03 17.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 74.040000000000006 110.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 48' ' ' VAL . 1.7 tt -70.19 -52.46 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 74.530000000000001 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.447 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -67.07 -12.4 59.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 74.540000000000006 109.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -68.43 -24.3 64.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 75.239999999999995 110.384 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -91.34 -61.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 72.310000000000002 109.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.517 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 95.2 mtp -41.81 -57.77 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 64.400000000000006 110.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 5.2 ptp180 -55.27 -40.64 71.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 72.209999999999994 110.255 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 7.8 t -57.0 -34.02 67.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 73.310000000000002 109.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 465' ' ' ILE . 23.4 mt -74.36 -21.21 59.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.120000000000005 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.97 3.96 8.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 54.039999999999999 111.067 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.37 -176.89 4.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 71.319999999999993 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.47 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 55.6 m -161.73 60.77 1.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 75.230000000000004 109.997 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.98 144.45 30.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 74.239999999999995 111.018 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.0 p -88.02 140.33 29.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 74.340000000000003 109.974 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 18.0 tt0 -50.31 -27.88 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 63.229999999999997 110.306 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -49.37 76.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 62.439999999999998 109.321 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 475' ' ' LEU . 1.0 OUTLIER -75.76 -51.92 11.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 73.409999999999997 110.276 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 HG13 ' CD2' ' A' ' 32' ' ' LEU . 55.5 t -39.91 -34.79 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 73.519999999999996 109.347 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 90.5 m-20 -67.01 -63.14 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 73.129999999999995 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.52 -16.8 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 72.129999999999995 109.332 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.3 tm? -80.07 -52.44 7.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 72.040000000000006 109.309 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 62' ' ' GLN . 10.9 ptm -79.16 -11.89 59.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 73.400000000000006 111.015 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' ASN . 6.6 m-80 -87.28 -8.2 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 72.439999999999998 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -81.39 -21.77 38.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 62.530000000000001 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.431 ' CD1' HD12 ' A' ' 71' ' ' LEU . 1.9 mm -107.35 -40.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 71.340000000000003 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.5 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 5.0 t0 -39.27 116.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 74.420000000000002 109.28 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.8 t -94.93 -7.78 9.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 123.631 1.681 . . . . 75.099999999999994 109.285 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 42.1 p-10 -117.62 -10.94 10.5 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 117.941 -1.028 . . . . 75.319999999999993 110.007 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 62.73 36.26 93.06 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.426 1.079 . . . . 74.530000000000001 110.973 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.5 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 31.4 p-10 -92.42 27.3 2.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 72.400000000000006 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.634 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 47.1 t60 43.41 42.52 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 65.420000000000002 109.585 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.528 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 37.3 mt-30 -160.95 162.35 31.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 65.430000000000007 110.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 52' ' ' MET . 0.3 OUTLIER -111.4 126.19 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 74.310000000000002 109.328 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.464 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -94.15 175.23 6.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 73.430000000000007 110.294 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.594 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.2 t80 -74.53 -12.69 60.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 75.530000000000001 110.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -90.9 -43.0 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 73.450000000000003 109.993 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -70.37 -56.03 7.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 110.301 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 86.7 t80 -50.22 -45.98 54.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 75.329999999999998 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.513 ' HB2' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -67.34 -34.19 76.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 74.420000000000002 109.292 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.63 -16.3 62.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 74.540000000000006 109.304 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.62 ' CD1' ' CG ' ' A' ' 75' ' ' GLN . 15.8 tp -77.04 -60.64 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 75.040000000000006 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.472 ' HE2' ' CB ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -39.9 -49.5 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 75.019999999999996 110.954 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 m -72.75 -33.19 66.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 63.350000000000001 110.027 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -102.37 58.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 75.439999999999998 110.305 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.62 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -144.9 19.09 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 71.519999999999996 110.252 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.525 ' HA ' ' CB ' ' A' ' 80' ' ' ASP . 7.0 mp -121.43 131.13 53.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 74.140000000000001 109.286 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.473 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 54.6 mttt -123.34 -72.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.349999999999994 109.313 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 p -128.12 -84.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 75.239999999999995 109.992 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.459 ' O ' ' CB ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -89.29 18.19 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 74.310000000000002 109.311 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.525 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -41.1 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 74.239999999999995 109.287 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -42.16 -28.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 74.510000000000005 109.987 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 79' ' ' ASN . 0.8 OUTLIER -72.48 -44.27 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 110.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.9 mm-40 -67.62 -65.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.172 . . . . 74.230000000000004 110.273 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -38.71 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 63.5 110.281 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 141' ' ' ALA . 7.1 mt -67.31 -65.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 74.400000000000006 109.293 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 83' ' ' GLN . 2.8 pp -57.19 -46.92 82.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 64.310000000000002 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.516 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 43.2 mm-40 -51.69 -44.45 63.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 75.25 110.313 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.453 ' HB1' ' CB ' ' A' ' 466' ' ' ALA . . . -80.59 -24.65 39.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 64.519999999999996 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.7 t80 -66.18 -64.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 72.450000000000003 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -61.02 -31.26 70.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 71.099999999999994 109.289 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 2.1 t -60.94 -56.38 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 75.140000000000001 109.3 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.632 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.7 m-85 -64.56 -43.8 92.77 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 123.623 1.678 . . . . 74.230000000000004 111.004 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.86 99.01 1.32 Allowed 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 117.896 -1.049 . . . . 72.439999999999998 109.98 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -30.22 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 71.329999999999998 109.339 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -78.32 -43.5 27.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 72.109999999999999 109.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.96 78.52 1.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 74.140000000000001 110.971 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.62 11.46 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 74.430000000000007 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.498 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 68.08 18.81 71.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 72.25 110.989 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -149.88 111.34 4.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 0.798 . . . . 64.530000000000001 109.279 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.459 HD12 ' CB ' ' A' ' 92' ' ' PHE . 64.6 mt -77.13 104.74 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 71.549999999999997 109.306 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -70.22 -175.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 64.129999999999995 110.012 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -54.01 -70.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 51.520000000000003 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.16 -67.15 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 75.239999999999995 109.256 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ALA . 36.3 mt-10 -37.64 -29.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.430000000000007 110.284 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.49 ' CD1' ' CD1' ' A' ' 135' ' ' ILE . 0.4 OUTLIER -93.05 -72.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 63.450000000000003 109.307 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -46.04 -56.99 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.019999999999996 109.274 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.587 ' CD2' HG21 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -47.2 -42.13 19.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 75.310000000000002 109.631 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.632 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -64.95 -48.4 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 72.049999999999997 109.284 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 114' ' ' GLU . 2.8 mm? -59.69 -30.02 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 74.510000000000005 109.322 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.5 m -82.12 -23.83 35.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 73.510000000000005 110.404 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 38' ' ' SER . 0.4 OUTLIER -71.98 -7.87 51.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 72.439999999999998 109.988 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.476 HD13 ' CD2' ' A' ' 18' ' ' LEU . 15.6 pt -114.61 -33.09 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 64.319999999999993 109.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.16 -34.43 0.85 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 52.119999999999997 111.039 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' LEU . 10.8 mm-40 -61.46 111.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 65.349999999999994 110.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -108.91 105.11 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 109.289 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.456 ' CD2' ' HE3' ' A' ' 124' ' ' MET . 5.9 mp -115.04 146.51 41.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.1 p -79.41 157.84 27.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 74.409999999999997 110.398 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 0.8 OUTLIER -54.3 -32.64 56.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 72.209999999999994 109.326 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.73 -24.96 53.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 72.239999999999995 109.332 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -77.71 -55.69 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 72.209999999999994 110.315 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -64.08 -50.44 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 75.140000000000001 109.326 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.517 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 12.7 t0 -47.6 -24.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 74.129999999999995 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.67 -35.24 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 74.25 109.309 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.456 ' HE3' ' CD2' ' A' ' 116' ' ' LEU . 28.3 ttm -63.82 -30.73 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 75.299999999999997 110.941 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 127' ' ' GLU . 12.7 mt -68.34 -58.34 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 74.219999999999999 109.289 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.442 ' HA ' ' OG ' ' A' ' 129' ' ' SER . 15.1 mtt-85 -36.32 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 71.109999999999999 110.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.5 mm-40 -43.39 -49.29 7.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 73.400000000000006 110.321 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 142' ' ' ALA . 31.2 m -132.49 8.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 73.329999999999998 109.271 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.45 ' HB3' ' C ' ' A' ' 125' ' ' LEU . 1.4 p -91.95 1.92 56.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 71.109999999999999 109.966 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.3 t70 51.12 27.17 3.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 74.25 109.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . . . 89.27 -23.64 17.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.152 . . . . 64.319999999999993 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 133' ' ' GLY . 86.2 p -39.07 -78.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 71.239999999999995 110.016 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.442 ' N ' ' OG ' ' A' ' 132' ' ' SER . . . 147.84 -17.64 1.41 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 111.027 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.6 mt-10 -119.96 178.9 4.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 0.772 . . . . 74.239999999999995 110.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.49 ' CD1' ' CD1' ' A' ' 105' ' ' LEU . 5.4 pt -148.03 119.86 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 73.319999999999993 109.341 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 138' ' ' GLN . 0.2 OUTLIER -87.56 175.87 7.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 73.25 109.323 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 85' ' ' LEU . 5.3 tp -47.58 -23.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 73.219999999999999 109.262 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.423 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 2.9 mm-40 -84.12 -58.3 2.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.333 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 142' ' ' ALA . 22.5 mt-30 -62.19 -55.99 23.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 73.329999999999998 110.326 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.415 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 37.6 t80 -43.1 -46.55 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.25 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.473 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . . . -64.12 -32.91 74.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 63.200000000000003 109.311 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 139' ' ' GLN . . . -46.82 -36.31 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 53.219999999999999 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.464 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 1.0 OUTLIER -61.46 -62.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 75.120000000000005 109.305 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.05 -22.43 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 72.200000000000003 109.303 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.6 t -104.48 32.97 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.986 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.502 ' O ' ' CZ ' ' A' ' 459' ' ' ARG . 5.5 tptp -124.73 84.64 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 74.340000000000003 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -129.0 42.79 1.38 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 75.140000000000001 111.03 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 17.2 m -109.58 -46.78 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 73.420000000000002 110.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.1 m -102.35 45.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 73.129999999999995 109.947 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.502 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 11.9 p -118.88 118.58 31.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 73.349999999999994 110.412 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -111.27 64.17 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 72.349999999999994 111.004 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.504 ' O ' ' CG2' ' A' ' 453' ' ' THR . 2.9 m 63.63 33.06 13.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 73.420000000000002 110.418 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -144.09 -59.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 74.420000000000002 110.283 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.502 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 20.2 mmt180 -68.46 -27.83 66.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 110.258 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.48 ' CD ' ' CD ' ' A' ' 11' ' ' GLU . 3.3 ptpt -68.18 -30.75 69.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.219999999999999 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -92.32 -16.24 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.129999999999995 109.303 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.95 -57.2 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 70.319999999999993 109.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 146' ' ' LYS . 3.5 ptp180 -71.6 -19.83 62.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 74.510000000000005 110.275 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.431 ' HA ' ' CD2' ' A' ' 463' ' ' LEU . 19.5 t30 -63.7 -31.07 72.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.340000000000003 109.289 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.459 ' CG ' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -57.03 -26.72 60.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 75.310000000000002 109.269 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.553 HG23 ' CE1' ' A' ' 92' ' ' PHE . 7.4 mt -86.5 -35.96 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 74.200000000000003 109.278 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 460' ' ' ASN . 0.6 OUTLIER -46.78 -46.58 20.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 74.120000000000005 109.338 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.455 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -71.87 -59.87 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 50.149999999999999 109.353 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.47 ' CG2' HD12 ' A' ' 39' ' ' LEU . 93.4 mt -40.36 -31.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 71.329999999999998 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.453 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . . . -87.02 -72.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 75.239999999999995 109.313 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.472 ' CB ' ' HE2' ' A' ' 72' ' ' MET . 35.4 mttt -40.37 -67.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 75.409999999999997 109.29 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.487 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 55.7 t -39.12 -38.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 74.019999999999996 109.326 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 466' ' ' ALA . 0.1 OUTLIER -71.73 -68.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 74.129999999999995 109.947 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.474 ' HD3' ' CG2' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -37.06 -51.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 75.099999999999994 110.303 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.469 ' HE1' ' CD1' ' A' ' 51' ' ' LEU . 2.2 mtm -42.11 -49.98 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 111.029 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.517 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 10.7 t80 -50.26 -37.46 36.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.140000000000001 110.996 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -71.22 -25.76 62.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 72.420000000000002 109.993 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.474 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 45.0 t -79.52 -52.01 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 74.310000000000002 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -43.14 -37.67 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.010000000000005 109.297 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 74.329999999999998 110.3 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.006 -0.837 . . . . 63.329999999999998 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.8 m -156.12 110.68 2.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 65.420000000000002 109.985 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -81.12 3.93 21.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 74.140000000000001 109.999 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 68.74 22.77 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 74.319999999999993 109.302 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -120.56 145.89 46.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 75.0 109.305 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.5 p -96.56 160.55 14.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 65.510000000000005 110.403 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -41.44 -35.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 63.210000000000001 110.332 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -67.88 -46.7 70.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 74.230000000000004 110.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 11.8 mm100 -57.06 -35.94 69.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.200000000000003 110.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.7 mm -65.58 -21.88 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 75.439999999999998 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.1 -12.33 57.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 64.230000000000004 109.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -81.34 -64.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 75.519999999999996 110.338 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CE2' HD11 ' A' ' 4' ' ' LEU . 52.2 m-85 -50.27 -24.35 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.430000000000007 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.4 mtmt -56.17 -38.86 71.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.272 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.448 ' CB ' ' HE2' ' A' ' 461' ' ' LYS . 5.3 mm-40 -70.42 -45.41 65.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 64.120000000000005 110.281 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.98 -15.33 42.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 73.530000000000001 109.302 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 5.8 t80 -83.04 -36.45 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 74.420000000000002 111.026 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -27.1 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 75.439999999999998 109.256 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 72.8 mt -41.53 -34.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 74.409999999999997 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 5.6 m-85 -116.07 -54.28 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 72.439999999999998 111.027 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.587 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -50.91 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 74.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' PHE . 39.0 mmtt -72.75 -67.03 0.59 Allowed 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 123.636 1.684 . . . . 72.530000000000001 109.297 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -71.48 -3.51 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.903 -1.046 . . . . 75.030000000000001 109.976 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.9 m120 44.38 63.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 71.150000000000006 109.271 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 18.5 p-10 -96.07 -24.71 16.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 73.540000000000006 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.36 29.4 3.21 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.118 . . . . 74.340000000000003 111.004 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.91 111.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 75.420000000000002 110.003 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.565 HD12 ' CE1' ' A' ' 16' ' ' PHE . 54.1 mt -84.94 109.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 72.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 p -67.73 168.15 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 64.319999999999993 109.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.458 ' CB ' HG12 ' A' ' 48' ' ' VAL . 1.6 t -68.7 -33.57 74.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 75.329999999999998 109.995 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.07 -20.63 60.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 62.229999999999997 110.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.509 ' O ' ' CG2' ' A' ' 34' ' ' THR . 45.9 mt-10 -90.81 -40.28 11.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 73.530000000000001 110.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.39 -51.72 64.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 75.340000000000003 109.246 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.87 -12.12 52.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.25 109.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -70.14 -29.53 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 74.450000000000003 110.429 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.554 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 1.8 t -83.33 -65.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 73.150000000000006 109.343 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.485 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 78.7 mtp -41.03 -48.28 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 64.409999999999997 110.975 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.1 ptm180 -62.35 -39.21 92.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.450000000000003 110.346 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.424 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.0 m -61.18 -15.66 36.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 54.32 110.009 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 465' ' ' ILE . 8.7 mt -91.54 -19.01 23.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.37 -3.72 8.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.097 . . . . 71.510000000000005 110.955 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.5 mt -73.19 -178.25 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 75.519999999999996 109.307 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.485 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 11.5 p -159.8 59.92 1.4 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 75.040000000000006 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -75.01 115.3 4.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 74.340000000000003 111.031 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.24 139.97 57.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 64.200000000000003 110.015 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.477 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 27.4 tt0 -43.25 -43.74 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 74.450000000000003 110.325 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.96 -50.74 18.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 53.109999999999999 109.272 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.18 -48.16 37.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 74.519999999999996 110.333 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.458 HG12 ' CB ' ' A' ' 29' ' ' SER . 98.7 t -43.12 -32.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 74.109999999999999 109.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.572 HD21 ' N ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -65.25 -63.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 71.439999999999998 109.27 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.57 -13.82 35.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 74.239999999999995 109.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.501 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.2 tm? -79.13 -53.44 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 75.200000000000003 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 61' ' ' HIS . 1.8 ptp -76.45 -21.55 55.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 72.409999999999997 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -78.33 -7.88 57.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 75.230000000000004 109.293 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -85.64 -13.95 47.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.400000000000006 110.319 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.452 ' CD1' ' SD ' ' A' ' 471' ' ' MET . 1.4 mm -117.98 -40.83 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 63.420000000000002 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.51 ' HD2' ' N ' ' A' ' 61' ' ' HIS . 4.7 t0 -38.57 115.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 109.266 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 97.3 t -94.8 -7.22 10.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.687 1.708 . . . . 75.409999999999997 109.351 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 53.7 p-10 -120.12 -10.56 9.39 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.922 -1.037 . . . . 74.310000000000002 109.987 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 64.3 37.34 94.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 61.25 111.0 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.4 p-10 -96.76 31.88 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 71.439999999999998 109.283 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.644 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 48.4 t60 40.27 38.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 109.615 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.451 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 35.6 mt-30 -157.65 177.57 11.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 74.030000000000001 110.318 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.07 127.78 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 75.109999999999999 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -95.29 168.09 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.030000000000001 110.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.9 t80 -69.5 -13.15 62.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.120000000000005 111.043 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.9 p -87.22 -47.08 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 62.219999999999999 110.012 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 18.0 mt-10 -69.51 -49.14 57.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 65.129999999999995 110.311 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -53.67 -43.51 68.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 75.019999999999996 111.0 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -72.51 -34.6 67.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 75.239999999999995 109.305 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.37 -15.83 61.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 73.510000000000005 109.303 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' CD1' ' HG3' ' A' ' 75' ' ' GLN . 19.2 tp -73.46 -46.83 45.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 74.530000000000001 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' A' ' 467' ' ' LYS . 1.0 OUTLIER -61.76 -40.32 94.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 74.319999999999993 110.986 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.1 t -72.07 -9.93 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 75.340000000000003 109.993 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.473 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -127.1 39.21 3.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 72.510000000000005 110.302 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.492 ' OE1' ' CZ ' ' A' ' 470' ' ' ARG . 1.5 mm-40 -142.34 29.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 75.400000000000006 110.247 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -141.44 118.27 11.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 72.209999999999994 109.314 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -135.37 -89.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 74.030000000000001 109.289 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 m -90.83 -84.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 34.32 109.955 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.408 ' ND2' ' HG3' ' A' ' 83' ' ' GLN . 0.4 OUTLIER -83.02 47.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 72.510000000000005 109.284 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -53.22 -95.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 73.019999999999996 109.289 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.466 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 15.5 t -36.89 -57.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 72.319999999999993 110.024 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.14 -51.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 74.519999999999996 110.332 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.408 ' HG3' ' ND2' ' A' ' 79' ' ' ASN . 2.7 mm-40 -55.21 -64.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 73.439999999999998 110.302 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 81' ' ' SER . 9.7 pt-20 -59.04 -14.37 9.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 74.530000000000001 110.27 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.498 ' CD1' ' CB ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -79.74 -59.79 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 74.329999999999998 109.26 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.61 -47.73 80.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 71.150000000000006 109.273 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 56.8 mm-40 -54.11 -34.74 61.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 75.340000000000003 110.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.34 -20.94 22.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.530000000000001 109.328 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CG ' HD12 ' A' ' 137' ' ' ILE . 21.8 t80 -67.83 -63.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 75.239999999999995 111.007 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' CB ' ' NZ ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -63.27 -32.75 74.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 75.329999999999998 109.302 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 1.9 t -58.96 -57.44 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 73.030000000000001 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.7 m-85 -62.03 -42.9 99.67 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 123.624 1.678 . . . . 72.439999999999998 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.13 98.6 1.35 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 117.91 -1.043 . . . . 65.040000000000006 109.96 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -30.34 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.549999999999997 109.27 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.463 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -77.83 -45.41 24.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 75.530000000000001 109.317 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.35 77.69 1.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.455 1.097 . . . . 74.319999999999993 110.971 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.86 10.48 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 71.109999999999999 109.301 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 69.72 18.31 73.92 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 71.439999999999998 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.503 ' CD2' ' OD1' ' A' ' 136' ' ' ASN . 2.7 mt -149.7 110.56 4.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 72.430000000000007 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.469 HD11 ' CB ' ' A' ' 92' ' ' PHE . 68.9 mt -74.96 103.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 73.140000000000001 109.329 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -70.08 174.9 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 75.530000000000001 109.984 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -46.01 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 74.219999999999999 109.345 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.39 -67.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 64.239999999999995 109.315 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 103' ' ' ALA . 37.6 mt-10 -37.63 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.140000000000001 110.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 103' ' ' ALA . 0.5 OUTLIER -93.94 -72.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 73.040000000000006 109.325 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.497 ' CG ' ' HA ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -47.74 -55.79 8.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 72.400000000000006 109.27 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.591 ' CD2' HG22 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -47.98 -40.29 22.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.540000000000006 109.571 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.634 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -66.82 -50.1 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 74.319999999999993 109.276 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.0 -35.23 66.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 75.129999999999995 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 99.3 m -80.16 -16.87 53.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 60.32 110.394 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.0 -2.09 54.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.409999999999997 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.47 ' CG2' HD12 ' A' ' 465' ' ' ILE . 6.8 pt -115.83 -33.85 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 72.010000000000005 109.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.431 ' N ' HG13 ' A' ' 112' ' ' ILE . . . 153.6 -39.02 0.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 61.030000000000001 111.008 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 110' ' ' THR . 7.4 mm-40 -49.2 174.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 73.510000000000005 110.314 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.77 105.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 74.219999999999999 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.603 ' CD2' ' CE ' ' A' ' 124' ' ' MET . 5.9 mp -121.86 138.51 54.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 75.030000000000001 109.303 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.3 p -75.42 157.38 34.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 71.150000000000006 110.415 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 4.8 t70 -54.63 -23.03 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 74.430000000000007 109.313 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.11 -26.24 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 109.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -79.01 -50.86 10.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 75.030000000000001 110.254 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.528 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -66.69 -50.99 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 74.430000000000007 109.32 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.528 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 16.2 t70 -49.7 -25.3 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 65.439999999999998 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -37.02 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 71.219999999999999 109.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.603 ' CE ' ' CD2' ' A' ' 116' ' ' LEU . 4.3 tpp -56.32 -37.38 69.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 75.540000000000006 110.978 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 127' ' ' GLU . 9.6 mt -64.31 -54.47 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 72.310000000000002 109.259 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 125' ' ' LEU . 40.7 mtt180 -36.9 -31.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 75.109999999999999 110.272 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' LEU . 73.0 mm-40 -44.26 -50.14 9.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 74.129999999999995 110.3 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.513 ' CB ' ' HB3' ' A' ' 142' ' ' ALA . 33.0 m -132.18 11.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.439999999999998 109.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 132' ' ' SER . 2.4 p -98.21 5.33 48.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 70.140000000000001 109.982 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' SER . 25.8 t70 40.39 36.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 71.150000000000006 109.275 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.98 46.67 90.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 63.130000000000003 110.984 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 129' ' ' SER . 2.2 m -97.89 -72.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 61.43 109.995 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.26 -16.46 1.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 71.219999999999999 110.995 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.41 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 27.5 mt-10 -141.81 170.33 15.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 71.040000000000006 110.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 143' ' ' LEU . 4.8 pt -138.36 130.44 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.510000000000005 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.503 ' OD1' ' CD2' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.75 -174.36 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 75.439999999999998 109.284 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.506 HD12 ' CG ' ' A' ' 89' ' ' PHE . 11.2 tp -58.06 -16.46 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 73.430000000000007 109.326 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -90.34 -49.68 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 64.209999999999994 110.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 142' ' ' ALA . 29.4 mt-30 -70.53 -56.97 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 74.010000000000005 110.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.418 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 16.5 t80 -43.52 -49.12 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 72.549999999999997 110.989 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.498 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . . . -62.05 -31.83 72.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 73.200000000000003 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.513 ' HB3' ' CB ' ' A' ' 128' ' ' VAL . . . -55.33 -29.43 58.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 73.140000000000001 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.461 ' CD1' HD12 ' A' ' 135' ' ' ILE . 2.0 mt -74.45 -47.23 34.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 75.120000000000005 109.322 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.1 mt -74.22 -4.18 34.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 74.439999999999998 109.305 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.0 t -122.97 -0.59 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 64.040000000000006 110.001 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 142' ' ' ALA . 0.2 OUTLIER 177.48 113.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 74.049999999999997 109.32 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.464 ' CA ' HG22 ' A' ' 150' ' ' THR . . . -117.67 -168.43 14.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 62.119999999999997 111.023 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.4 ' OG ' ' CD ' ' A' ' 127' ' ' GLU . 0.7 OUTLIER -86.29 111.28 20.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 75.140000000000001 109.939 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.8 t 38.67 55.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 74.310000000000002 109.999 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.464 HG22 ' CA ' ' A' ' 147' ' ' GLY . 27.0 p -80.28 105.77 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 74.5 110.362 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -116.26 -79.45 0.77 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 73.230000000000004 111.037 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 73.4 p -132.17 5.44 4.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 73.109999999999999 110.398 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 -125.76 -63.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 73.239999999999995 110.336 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -62.37 -29.61 70.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 71.319999999999993 110.279 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -23.14 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 73.099999999999994 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . 0.442 ' O ' ' NZ ' ' A' ' 461' ' ' LYS . . . -75.15 -22.09 58.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 74.25 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.18 -52.39 65.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 74.310000000000002 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -69.68 -21.89 63.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 73.310000000000002 110.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.489 ' HA ' ' CD1' ' A' ' 463' ' ' LEU . 30.3 t30 -73.2 -23.6 60.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 75.200000000000003 109.32 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.66 ' HZ1' ' N ' ' A' ' 461' ' ' LYS . 0.3 OUTLIER -65.57 -25.32 67.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 62.130000000000003 109.287 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.563 HG23 ' CE1' ' A' ' 92' ' ' PHE . 6.1 mt -90.4 -37.95 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 109.332 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' A' ' 460' ' ' ASN . 94.8 mt -40.41 -48.59 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 65.549999999999997 109.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.454 ' HA ' ' CE ' ' A' ' 72' ' ' MET . . . -68.03 -55.62 11.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.127 . . . . 74.329999999999998 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 112' ' ' ILE . 22.6 mt -50.61 -21.74 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 72.420000000000002 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.442 ' CB ' ' HB2' ' A' ' 84' ' ' GLU . . . -86.04 -66.89 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 74.299999999999997 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.472 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 24.6 mttt -57.7 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 71.230000000000004 109.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.559 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 61.8 t -39.2 -38.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 75.310000000000002 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 10.1 t -71.66 -48.51 47.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 75.109999999999999 110.023 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.492 ' CZ ' ' OE1' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -57.13 -36.02 70.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 75.549999999999997 110.279 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.486 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 8.4 mtm -51.12 -22.42 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 74.530000000000001 111.015 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 13.4 t80 -89.1 -25.43 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 65.420000000000002 110.979 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 5.8 t -91.62 -2.8 56.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 110.01 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 10.8 p -107.65 -48.66 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 474' ' ' VAL . 0.1 OUTLIER -40.2 -33.58 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 65.140000000000001 109.271 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.409999999999997 110.283 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.006 -0.838 . . . . 74.109999999999999 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 73' ' ' SER . 1.7 p 175.06 170.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 73.310000000000002 109.987 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -97.05 -160.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 75.209999999999994 109.985 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.8 t30 60.02 46.81 10.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 63.100000000000001 109.312 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.495 HD11 ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -100.11 162.6 12.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 75.030000000000001 109.289 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.2 p -109.39 160.36 16.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 72.230000000000004 110.408 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -41.07 -33.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 73.109999999999999 110.312 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -69.95 -48.74 57.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.340000000000003 110.253 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.46 ' CB ' ' HB3' ' A' ' 4' ' ' LEU . 9.5 mm100 -53.58 -34.16 57.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 73.340000000000003 110.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.635 ' CG2' ' CZ ' ' A' ' 65' ' ' PHE . 1.6 mm -65.59 -29.98 48.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 75.019999999999996 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.65 -12.37 61.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 64.540000000000006 109.337 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -79.16 -62.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 73.5 110.306 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.495 ' CZ ' HD11 ' A' ' 4' ' ' LEU . 67.5 m-85 -52.23 -20.14 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 110.949 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 2.6 mttt -52.8 -21.35 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 74.049999999999997 109.273 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.98 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 74.25 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . . . -57.83 -17.44 16.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 72.549999999999997 109.275 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.605 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 8.4 t80 -78.2 -40.83 36.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 72.299999999999997 110.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.62 68.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 72.510000000000005 109.261 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.476 ' CD2' ' HG3' ' A' ' 461' ' ' LYS . 72.9 mt -41.28 -41.65 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 70.140000000000001 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 18.2 m-85 -104.42 -54.7 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 74.310000000000002 110.998 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.605 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.75 92.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 64.230000000000004 109.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' PHE . 44.1 mmtt -72.39 -67.34 0.56 Allowed 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.643 1.687 . . . . 70.439999999999998 109.318 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 22' ' ' ASP . 2.9 p30 -72.98 -6.45 45.45 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 117.908 -1.044 . . . . 73.030000000000001 109.949 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.1 m120 49.44 65.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 64.319999999999993 109.306 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -98.54 -25.62 14.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 73.5 109.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.4 30.61 2.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 74.030000000000001 110.979 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.9 p -168.92 111.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.776 . . . . 75.329999999999998 109.989 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.547 HD13 ' CE1' ' A' ' 16' ' ' PHE . 45.3 mt -87.86 107.46 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 74.510000000000005 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 p -71.15 157.62 37.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 74.299999999999997 109.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.411 ' CB ' HG11 ' A' ' 48' ' ' VAL . 1.3 t -60.62 -26.63 67.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 44.420000000000002 109.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -71.34 -25.33 62.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 72.049999999999997 109.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.502 ' O ' ' CG2' ' A' ' 34' ' ' THR . 45.7 mt-10 -90.73 -46.42 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 72.409999999999997 110.315 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -55.64 -50.18 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 75.420000000000002 109.3 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 37' ' ' ARG . . . -64.56 -12.61 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 75.430000000000007 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -74.96 -32.66 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 71.150000000000006 110.425 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -88.8 -60.91 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 73.430000000000007 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.1 mtp -40.97 -47.26 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.450000000000003 111.013 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 9.2 ptm180 -70.13 -35.21 73.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 110.282 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' VAL . 5.0 m -62.49 -22.25 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 74.120000000000005 109.976 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.502 ' CD2' ' OG ' ' A' ' 111' ' ' SER . 10.4 mt -80.34 -18.3 49.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.049999999999997 109.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.93 2.34 8.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 71.430000000000007 111.027 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.0 mt -87.3 -173.96 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 64.319999999999993 109.301 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.453 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 48.1 t -164.98 61.94 0.85 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 74.340000000000003 109.969 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 124.37 8.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 72.200000000000003 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' GLU . 68.4 m -69.53 140.62 53.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 74.530000000000001 110.013 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -42.84 -28.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 75.040000000000006 110.309 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.79 -47.78 76.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 75.329999999999998 109.285 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' SER . 1.2 mt-10 -76.15 -49.75 16.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 75.109999999999999 110.358 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.465 HG12 ' CD2' ' A' ' 32' ' ' LEU . 53.4 t -40.93 -42.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 71.129999999999995 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ASN . 90.9 m-20 -62.64 -63.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 73.129999999999995 109.26 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -18.07 4.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 52.439999999999998 109.34 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -78.75 -52.85 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 75.549999999999997 109.249 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.475 ' HB2' ' CD1' ' A' ' 63' ' ' ILE . 10.3 ptm -80.97 -8.79 59.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 70.040000000000006 110.976 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.5 m-80 -86.09 -10.13 55.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 71.010000000000005 109.272 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -85.61 -10.17 56.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 73.519999999999996 110.283 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.7 mm -117.91 -42.77 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 75.140000000000001 109.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.493 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 5.9 t0 -39.44 116.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.519999999999996 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.58 -7.84 9.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 CA-C-O 123.595 1.664 . . . . 75.140000000000001 109.292 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 32.3 p-10 -115.41 -10.25 12.01 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.899 -1.048 . . . . 71.439999999999998 109.969 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 58.84 39.28 93.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 64.010000000000005 111.033 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.493 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.3 p-10 -96.28 25.26 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 74.549999999999997 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.67 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 41.3 t60 47.36 40.85 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 71.510000000000005 109.649 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.522 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 59.4 mt-30 -160.29 176.29 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 71.239999999999995 110.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -123.42 127.09 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 75.230000000000004 109.297 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.89 173.72 6.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 75.109999999999999 110.291 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.635 ' CZ ' ' CG2' ' A' ' 9' ' ' ILE . 4.0 t80 -74.16 -10.74 59.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 74.439999999999998 110.983 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 2.2 p -92.52 -32.85 14.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 75.519999999999996 110.025 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.51 -53.56 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 72.129999999999995 110.313 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.408 ' CD2' ' HD1' ' A' ' 16' ' ' PHE . 87.7 t80 -54.03 -49.8 68.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 75.040000000000006 111.005 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.35 -23.62 67.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 73.120000000000005 109.296 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.574 ' N ' ' CD1' ' A' ' 69' ' ' LEU . . . -86.08 -15.59 40.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 60.299999999999997 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.494 ' CD1' ' CG ' ' A' ' 75' ' ' GLN . 9.2 tp -73.61 -48.55 31.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 64.530000000000001 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.476 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -56.27 -36.33 68.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 62.039999999999999 110.997 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 1' ' ' SER . 83.0 p -90.58 22.22 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 70.299999999999997 110.013 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.16 54.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 73.019999999999996 110.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.494 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -144.98 15.93 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.239999999999995 110.266 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.519 ' CB ' ' HB3' ' A' ' 80' ' ' ASP . 0.1 OUTLIER -138.19 150.27 46.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 72.329999999999998 109.311 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -141.85 -60.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 65.239999999999995 109.306 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 p -108.18 -55.07 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 73.409999999999997 110.035 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.571 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -109.97 93.18 4.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 72.310000000000002 109.277 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.519 ' HB3' ' CB ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.94 -72.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 109.244 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 28.4 t -72.02 -4.47 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 63.399999999999999 110.015 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -94.52 -22.99 17.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 75.530000000000001 110.263 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.42 ' NE2' HD22 ' A' ' 86' ' ' LEU . 11.5 mm-40 -95.11 -64.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.586 1.178 . . . . 73.310000000000002 110.285 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -43.37 -27.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 75.140000000000001 110.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.545 ' CD2' ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -74.23 -68.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 109.327 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.42 HD22 ' NE2' ' A' ' 83' ' ' GLN . 1.8 pp -47.25 -38.3 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 74.019999999999996 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 5.6 mm-40 -66.75 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 74.129999999999995 110.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB1' ' CB ' ' A' ' 466' ' ' ALA . . . -63.4 -11.86 26.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 72.209999999999994 109.302 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.526 ' CG ' HD11 ' A' ' 137' ' ' ILE . 36.3 t80 -85.4 -55.98 3.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 75.030000000000001 111.003 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' HD2' ' O ' ' A' ' 86' ' ' LEU . 2.0 ptmm? -66.89 -35.8 80.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 74.099999999999994 109.336 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 1.3 p -59.52 -48.46 87.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.230000000000004 109.293 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.646 ' CZ ' ' CG1' ' A' ' 108' ' ' VAL . 4.0 m-85 -68.78 -42.28 77.61 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.64 1.686 . . . . 75.219999999999999 111.004 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -73.08 100.03 2.92 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.876 -1.059 . . . . 63.119999999999997 110.012 179.693 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -31.16 19.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 70.450000000000003 109.29 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.5 -50.85 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 71.319999999999993 109.267 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.452 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 90.77 68.09 1.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 73.430000000000007 111.01 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -124.79 -0.3 8.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 73.140000000000001 109.292 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.511 ' O ' ' CD2' ' A' ' 99' ' ' LEU . . . 84.89 13.69 71.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 71.409999999999997 110.99 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 98' ' ' GLY . 0.9 OUTLIER -149.6 113.9 5.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 74.340000000000003 109.304 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.417 ' CD1' ' CB ' ' A' ' 92' ' ' PHE . 68.9 mt -73.2 99.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 75.310000000000002 109.24 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.4 p -63.9 168.8 4.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 62.100000000000001 110.016 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -43.62 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.483 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -42.28 -65.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 73.299999999999997 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -38.95 -28.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 73.319999999999993 110.279 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 135' ' ' ILE . 0.2 OUTLIER -91.55 -72.93 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 73.420000000000002 109.316 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.483 ' CD ' ' HA ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -45.58 -60.41 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 73.340000000000003 109.319 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.544 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.75 -41.43 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 75.400000000000006 109.596 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.646 ' CG1' ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -67.99 -57.35 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 75.099999999999994 109.305 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 114' ' ' GLU . 3.5 mt -53.7 -23.35 11.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 71.340000000000003 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.2 m -83.89 -25.96 29.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 71.129999999999995 110.392 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.53 -9.03 46.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 75.329999999999998 110.017 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.472 ' CD1' HD21 ' A' ' 18' ' ' LEU . 12.9 pt -112.18 -32.03 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 74.340000000000003 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.71 -33.72 0.97 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.137 . . . . 52.310000000000002 111.035 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 109' ' ' LEU . 4.0 mm-40 -65.29 106.02 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 71.120000000000005 110.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.92 98.9 8.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 73.120000000000005 109.249 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -96.97 127.13 42.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 71.239999999999995 109.265 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.4 p -65.44 158.03 27.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.25 110.409 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -55.31 -22.27 18.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 65.530000000000001 109.285 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.78 -22.89 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 60.109999999999999 109.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 8.3 mm-40 -82.25 -62.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 74.030000000000001 110.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 122' ' ' ASP . 4.1 p -52.12 -50.95 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 74.140000000000001 109.296 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.477 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 2.3 t70 -47.08 -25.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 71.430000000000007 109.303 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 121' ' ' VAL . 28.2 t70 -91.54 -35.5 14.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 71.530000000000001 109.334 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 121' ' ' VAL . 23.5 ttm -61.39 -33.66 74.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 74.349999999999994 111.016 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 129' ' ' SER . 5.1 mt -67.24 -55.9 12.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 75.010000000000005 109.261 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 125' ' ' LEU . 36.0 mtt-85 -37.87 -29.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 73.120000000000005 110.31 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 88.3 mt-10 -48.91 -50.64 34.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 74.299999999999997 110.292 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.489 ' CG1' ' HB2' ' A' ' 142' ' ' ALA . 34.5 m -131.35 16.92 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 73.109999999999999 109.335 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.5 p -104.26 7.81 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 55.130000000000003 110.015 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' SER . 21.8 t70 39.21 46.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 71.120000000000005 109.328 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.06 47.52 72.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 53.200000000000003 111.001 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 129' ' ' SER . 28.9 t -106.73 -77.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 65.120000000000005 109.993 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 150.06 -17.27 1.05 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 60.240000000000002 111.042 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.421 ' HB3' ' CB ' ' A' ' 99' ' ' LEU . 21.1 mt-10 -136.02 159.43 41.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 74.530000000000001 110.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.554 ' CD1' ' CD1' ' A' ' 105' ' ' LEU . 6.2 pt -131.32 129.57 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 73.230000000000004 109.294 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.431 ' OD1' ' CD2' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.4 -174.01 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 71.310000000000002 109.32 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.526 HD11 ' CG ' ' A' ' 89' ' ' PHE . 11.1 tp -59.23 -15.5 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 72.310000000000002 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -90.3 -51.12 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 63.039999999999999 110.284 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 28.6 mt-30 -70.03 -56.34 7.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.209999999999994 110.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' A' ' 136' ' ' ASN . 12.8 t80 -43.55 -48.02 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 73.349999999999994 110.993 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.545 ' CB ' ' CD2' ' A' ' 85' ' ' LEU . . . -55.47 -35.69 65.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 71.430000000000007 109.264 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 139' ' ' GLN . . . -46.42 -35.87 5.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 62.5 109.297 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.6 -42.12 71.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 75.25 109.317 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 141' ' ' ALA . 8.0 mt -79.04 1.51 23.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 75.299999999999997 109.291 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.4 t -155.27 46.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.010000000000005 109.949 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 142' ' ' ALA . 2.9 tmtt? -87.73 -66.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 75.329999999999998 109.279 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 54.52 35.84 57.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 73.010000000000005 111.033 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 146' ' ' LYS . 1.4 p -123.69 118.39 27.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 74.450000000000003 110.01 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.5 m 65.19 21.89 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 73.140000000000001 109.946 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.461 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 19.4 p -102.47 -163.32 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 75.219999999999999 110.415 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 158.12 -74.52 0.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 65.200000000000003 110.983 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 5.5 p -139.87 12.91 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 75.430000000000007 110.425 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -122.2 -53.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 74.439999999999998 110.268 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' ARG . . . . . 0.461 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 18.2 mmt180 -80.33 -31.79 37.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 75.109999999999999 110.275 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.508 ' NZ ' HD21 ' A' ' 460' ' ' ASN . 0.0 OUTLIER -58.98 -24.98 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 65.549999999999997 109.352 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -83.54 -18.24 39.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 63.310000000000002 109.261 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -48.71 75.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 72.099999999999994 109.297 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 1.3 ptp85 -76.29 -35.95 58.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 110.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' ASN . . . . . 0.508 HD21 ' NZ ' ' A' ' 456' ' ' LYS . 2.4 t30 -58.84 -31.23 68.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 64.299999999999997 109.331 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . 0.476 ' HG3' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -63.31 -29.17 70.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.340000000000003 109.25 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.559 HG22 ' CE1' ' A' ' 92' ' ' PHE . 13.6 mt -89.45 -33.12 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 74.129999999999995 109.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.46 ' CD1' ' OD1' ' A' ' 460' ' ' ASN . 61.0 mt -47.2 -50.23 21.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 75.019999999999996 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' ALA . . . . . 0.506 ' O ' ' CG2' ' A' ' 468' ' ' VAL . . . -65.72 -59.03 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 71.409999999999997 109.305 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 112' ' ' ILE . 49.6 mt -42.01 -28.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 65.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . 0.455 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . . . -81.86 -72.43 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 74.349999999999994 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 469' ' ' SER . 1.2 mtmm -44.55 -64.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.230000000000004 109.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 464' ' ' ALA . 12.4 m -38.52 -31.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 467' ' ' LYS . 5.5 t -82.76 -67.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 75.310000000000002 110.024 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.497 ' HD3' ' CG2' ' A' ' 474' ' ' VAL . 1.3 tmt_? -38.63 -30.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.120000000000005 110.272 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' MET . . . . . 0.475 ' HE3' ' CD2' ' A' ' 71' ' ' LEU . 5.5 mtp -56.97 -48.7 77.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 74.439999999999998 111.004 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 4.6 t80 -49.47 -30.3 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.329999999999998 111.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 4.2 m -79.1 -27.99 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 54.229999999999997 110.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . 0.497 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 60.7 t -78.23 -56.43 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 73.109999999999999 109.294 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.441 ' CD2' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -39.56 -38.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 73.120000000000005 109.3 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 65.230000000000004 110.306 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.432 -0.21 . . . . 73.22 110.432 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -46.68 -38.95 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 72.25 110.303 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -68.07 -36.48 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 62.23 110.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.41 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 18.9 mm100 -64.55 -31.17 72.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 74.3 110.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.64 HG23 HD22 ' A' ' 69' ' ' LEU . 3.5 mm -67.11 -20.67 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 64.32 109.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.39 -12.39 54.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 70.42 109.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CG ' ' HA ' ' A' ' 8' ' ' GLN . 25.9 mm-40 -76.86 -67.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 72.21 110.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 38.7 m-85 -44.49 -25.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 72.24 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.587 ' CG ' ' CE1' ' A' ' 65' ' ' PHE . 23.5 mttt -53.57 -45.97 70.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 75.32 109.321 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.476 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 26.3 mm-40 -63.78 -44.33 93.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 70.22 110.252 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.735 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -65.96 -15.27 62.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 64.12 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.609 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.2 t80 -81.93 -44.81 16.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 64.42 110.95 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.57 -27.34 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.24 109.28 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.932 HD21 ' HG2' ' A' ' 461' ' ' LYS . 93.5 mt -40.33 -40.53 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 55.43 109.29 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.829 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 5.2 m-85 -113.14 -53.47 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.41 1.069 . . . . 62.21 110.967 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.609 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -51.88 95.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 72.43 109.329 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HE3' HG21 ' A' ' 34' ' ' THR . 5.1 mmtp -75.87 -67.06 0.71 Allowed 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.642 1.687 . . . . 74.24 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -69.38 -7.33 36.52 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 117.931 -1.033 . . . . 45.45 109.973 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 49.66 62.73 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 73.34 109.307 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 24.1 p-10 -97.17 -27.5 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 74.2 109.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 112.77 33.5 2.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 65.14 110.96 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.79 112.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 74.04 110.024 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.613 HD13 ' HB2' ' A' ' 19' ' ' PHE . 95.8 mt -92.0 102.64 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 71.31 109.277 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 p -66.87 175.11 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 53.42 110.02 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -72.2 -28.89 63.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 70.04 109.969 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -26.13 60.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 70.31 109.987 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.688 ' O ' HG22 ' A' ' 34' ' ' THR . 34.5 mt-10 -90.71 -38.04 13.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 64.23 110.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.081 HD22 HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -65.28 -52.63 52.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 72.31 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.735 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -66.01 -12.13 52.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 61.23 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -69.65 -30.37 68.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 53.2 110.41 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.539 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -82.84 -64.58 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 70.42 109.269 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.801 ' HE2' HD13 ' A' ' 41' ' ' LEU . 74.2 mtp -40.43 -53.41 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 63.31 111.015 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -62.07 -34.34 76.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.085 . . . . 75.52 110.32 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -66.51 -26.99 67.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 61.13 109.999 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.047 HD13 HG23 ' A' ' 465' ' ' ILE . 17.2 mt -79.16 -19.74 50.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 63.21 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.14 2.46 8.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 63.14 111.014 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.801 HD13 ' HE2' ' A' ' 36' ' ' MET . 17.6 mt -81.38 -174.62 5.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 0.719 . . . . 74.43 109.278 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.454 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 52.9 p -163.84 61.36 0.95 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 62.44 110.027 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.55 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.98 136.46 20.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 62.32 111.006 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -76.29 140.33 41.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 71.13 110.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 19.6 tt0 -51.67 -27.92 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 62.43 110.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.69 -49.62 75.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 73.51 109.299 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.708 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.6 mt-10 -74.76 -51.29 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 74.41 110.293 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.081 HG13 HD22 ' A' ' 32' ' ' LEU . 54.5 t -40.28 -32.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 70.51 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 91.9 m-20 -72.4 -63.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 65.32 109.324 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' HB3' HD13 ' A' ' 475' ' ' LEU . 23.6 t0 -52.38 -21.03 3.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 72.44 109.284 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.024 HD21 ' HE3' ' A' ' 471' ' ' MET . 5.3 tt -80.3 -62.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 64.52 109.309 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.411 ' HB3' HD13 ' A' ' 32' ' ' LEU . 9.0 ptm -63.2 -14.24 46.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 45.52 111.01 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -93.99 -9.96 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 62.22 109.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.639 ' C ' HD13 ' A' ' 55' ' ' ILE . 14.7 mt-10 -81.88 -12.69 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 65.24 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.799 HG21 ' HB2' ' A' ' 71' ' ' LEU . 1.8 mm -116.36 -41.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 73.13 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 3.3 t0 -39.0 120.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 64.12 109.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.617 HG23 ' HG2' ' A' ' 67' ' ' GLU . 65.1 t -81.83 -17.25 11.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 123.608 1.67 . . . . 75.02 109.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.3 p-10 -116.11 -7.91 11.84 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.885 -1.055 . . . . 74.1 109.976 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.37 41.44 93.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 62.3 111.017 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.435 ' ND2' ' HB2' ' A' ' 62' ' ' GLN . 29.7 p-10 -89.08 16.13 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 71.42 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.627 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 14.1 t-80 61.65 29.67 18.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 75.15 109.597 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 44.0 mt-30 -155.56 149.56 25.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 71.32 110.324 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.61 129.1 54.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 63.23 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.522 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -91.97 179.35 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 64.03 110.27 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.5 t80 -76.28 -12.44 60.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 64.13 110.978 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.6 t -94.97 -41.47 9.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 73.4 110.0 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.617 ' HG2' HG23 ' A' ' 57' ' ' VAL . 44.8 mt-10 -68.67 -50.47 50.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 71.42 110.322 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.495 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 88.6 t80 -56.95 -39.86 75.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 75.21 110.956 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -70.41 -34.04 72.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 75.13 109.322 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -75.85 -15.88 60.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 72.11 109.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.799 ' HB2' HG21 ' A' ' 55' ' ' ILE . 20.6 tp -74.02 -46.71 41.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 70.42 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.664 ' HG3' ' HZ3' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -57.42 -29.24 63.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 74.33 110.998 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 p -106.09 18.78 21.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 73.13 110.047 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 74' ' ' ARG . 1.9 tmt_? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 71.42 110.281 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.713 HD21 ' HA ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.308 -0.627 . . . . 75.04 109.308 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 pp -46.67 -39.0 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 64.11 109.336 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 91' ' ' VAL . 6.6 mm-40 -67.27 -58.34 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 73.43 110.292 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.855 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -65.26 -12.1 48.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.54 109.251 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 85' ' ' LEU . 38.9 t80 -84.49 -55.85 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 51.44 110.983 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -75.31 -2.77 29.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 64.54 109.267 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 87' ' ' GLU . 12.6 t -94.05 -42.76 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.03 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.962 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.2 m-85 -77.2 -42.93 35.56 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.592 1.663 . . . . 60.52 111.003 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 0.3 OUTLIER -69.36 97.21 0.94 Allowed 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 117.901 -1.047 . . . . 72.02 110.003 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.37 -29.09 21.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 74.05 109.293 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.468 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -78.06 -44.8 25.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.31 109.321 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.87 77.13 1.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 72.24 111.011 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.64 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.15 9.6 2.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 72.04 109.282 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.871 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.03 18.19 74.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 73.24 111.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.871 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.4 mt -149.96 112.54 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 72.31 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 89' ' ' PHE . 54.7 mt -77.07 102.74 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 44.41 109.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 t -69.64 179.38 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 45.54 109.952 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.573 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -51.74 -66.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 55.4 109.278 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -41.31 -66.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.21 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 93' ' ' ASP . 29.2 mt-10 -39.28 -29.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 71.5 110.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.664 HD13 ' HE2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -88.3 -71.9 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 74.05 109.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.814 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -48.36 -61.19 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 73.42 109.267 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.766 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -41.8 -40.73 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 64.3 109.61 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.962 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -69.16 -44.07 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 63.14 109.322 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 106' ' ' LYS . 2.0 mm? -64.85 -23.08 67.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 63.13 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 m -86.54 -15.27 40.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 70.11 110.37 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.715 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -78.66 -10.24 59.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.14 110.007 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.041 HG21 HD11 ' A' ' 465' ' ' ILE . 4.3 pt -110.87 -26.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 74.34 109.262 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.99 -30.01 2.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 74.53 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' LEU . 18.3 mm-40 -65.5 115.19 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 71.01 110.258 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -111.94 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 72.3 109.342 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.893 HD23 ' HB3' ' A' ' 120' ' ' GLU . 4.4 mp -92.86 141.93 27.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 64.54 109.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLU . 82.6 p -70.8 151.14 45.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 71.22 110.395 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -48.15 -24.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 72.15 109.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.98 -41.24 23.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.21 109.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.893 ' HB3' HD23 ' A' ' 116' ' ' LEU . 35.2 mm-40 -62.84 -42.85 99.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 52.4 110.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.814 HG21 ' HG2' ' A' ' 106' ' ' LYS . 6.4 p -69.23 -52.38 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 72.22 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.537 ' HA ' HD12 ' A' ' 125' ' ' LEU . 11.2 t70 -55.57 -22.09 20.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 73.43 109.235 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.27 -36.8 13.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 62.24 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.492 ' HE3' ' HB2' ' A' ' 124' ' ' MET . 25.4 ttm -60.9 -33.45 73.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 64.22 110.976 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 122' ' ' ASP . 7.6 mt -65.63 -52.31 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 62.33 109.342 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 125' ' ' LEU . 40.9 mtt180 -37.16 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 72.44 110.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 125' ' ' LEU . 13.1 mm-40 -46.26 -50.6 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 61.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.645 ' HB ' ' HB3' ' A' ' 142' ' ' ALA . 23.1 m -129.91 13.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.04 109.339 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.0 p -103.1 2.93 35.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 50.34 109.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 129' ' ' SER . 38.9 t0 38.24 47.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 73.14 109.291 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.96 48.2 74.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 73.42 110.977 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 129' ' ' SER . 40.6 t -100.91 -77.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 75.42 109.949 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 154.85 -20.2 0.58 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.463 1.102 . . . . 71.14 110.985 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.421 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.2 mt-10 -143.09 165.06 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 73.1 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 9.4 pt -130.3 126.46 61.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 52.12 109.291 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.523 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.52 -177.69 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.0 109.248 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.644 HD12 HD12 ' A' ' 85' ' ' LEU . 5.2 tp -54.82 -18.6 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 60.35 109.322 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -87.3 -57.56 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 63.11 110.292 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 142' ' ' ALA . 55.0 mt-30 -65.45 -54.6 26.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 45.14 110.269 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.518 ' HZ ' ' HB1' ' A' ' 88' ' ' ALA . 26.0 t80 -47.99 -34.07 8.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 75.12 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.713 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -76.79 -28.97 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 44.11 109.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.645 ' HB3' ' HB ' ' A' ' 128' ' ' VAL . . . -60.83 -15.17 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 73.12 109.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.51 HD23 HH12 ' A' ' 459' ' ' ARG . 1.2 mt -79.72 -65.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 53.43 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.711 HD12 HD22 ' A' ' 85' ' ' LEU . 4.8 mt -50.82 -21.76 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 64.21 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 74.33 109.992 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 455' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 458' ' ' LEU . 27.4 mmt180 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.299 -0.26 . . . . 74.04 110.299 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -24.89 3.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 53.31 109.368 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 457' ' ' ALA . . . . . 0.476 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -91.95 -26.84 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 73.53 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 455' ' ' ARG . 0.9 OUTLIER -67.19 -43.57 81.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 73.42 109.294 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.51 HH12 HD23 ' A' ' 143' ' ' LEU . 5.6 ptp180 -80.65 -24.96 38.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 72.35 110.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.906 ' HA ' HD22 ' A' ' 463' ' ' LEU . 15.7 t30 -59.43 -29.74 67.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 73.51 109.328 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.932 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.21 -26.9 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 72.51 109.279 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.691 HG23 ' HE1' ' A' ' 92' ' ' PHE . 14.8 mt -87.14 -32.08 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 44.41 109.285 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.906 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.6 OUTLIER -51.79 -44.33 63.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 72.31 109.293 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.735 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -75.01 -59.6 2.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.33 109.282 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.047 HG23 HD13 ' A' ' 39' ' ' LEU . 13.1 mt -41.17 -30.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 63.13 109.321 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.855 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.93 -67.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 70.41 109.266 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.664 ' HZ3' ' HG3' ' A' ' 72' ' ' MET . 29.4 mtpt -48.12 -62.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 74.1 109.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.829 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 51.9 t -47.14 -44.75 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 60.45 109.29 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 24.7 t -67.24 -27.66 67.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 71.33 110.001 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.2 OUTLIER -81.65 -25.1 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 62.42 110.316 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 471' ' ' MET . . . . . 1.024 ' HE3' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -61.95 -26.21 68.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 74.14 111.01 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.638 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 31.8 t80 -75.43 -21.76 57.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 73.12 111.008 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -89.02 -11.11 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.14 110.012 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 48.8 t -101.45 -49.27 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 61.35 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.973 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -38.37 -37.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.15 109.309 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 73.12 110.314 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.392 -0.225 . . . . 71.22 110.392 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.32 -25.62 59.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 75.14 110.273 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -79.77 -21.91 43.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 72.42 110.344 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.415 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 11.5 mm100 -81.97 -29.22 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 65.12 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.924 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 3.4 mm -65.74 -30.9 51.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.52 -12.38 61.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 44.42 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 12.2 mm-40 -75.71 -68.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 53.53 110.293 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.478 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 45.6 m-85 -47.21 -23.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 75.04 111.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 1.1 mttt -52.44 -42.0 63.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 71.54 109.319 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.65 -59.63 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 52.4 110.303 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.004 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -51.97 -23.61 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 51.4 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 1.7 t80 -74.51 -39.62 62.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 73.34 110.97 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.67 -18.04 51.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 75.53 109.33 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.605 HD21 ' HG2' ' A' ' 461' ' ' LYS . 40.3 mt -56.33 -43.76 79.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 64.3 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.723 ' CZ ' HG21 ' A' ' 468' ' ' VAL . 17.9 m-85 -104.79 -47.59 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 62.25 110.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.601 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -60.08 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 50.33 109.267 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' PHE . 41.7 mmtt -61.08 -67.26 0.42 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.629 1.681 . . . . 75.51 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.87 -13.7 60.27 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.896 -1.049 . . . . 73.03 109.992 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 59.24 58.73 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 64.35 109.285 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.5 p30 -91.92 -22.89 19.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 65.5 109.321 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.21 32.74 2.93 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 35.3 110.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 p -168.76 112.08 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.757 . . . . 73.45 109.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 43.7 mt -92.27 101.56 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 74.24 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -67.81 163.25 22.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 60.21 110.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.62 ' O ' HG11 ' A' ' 48' ' ' VAL . 1.5 t -59.1 -18.07 32.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 73.34 109.958 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.34 -20.85 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 60.32 109.989 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.735 ' O ' HG22 ' A' ' 34' ' ' THR . 44.1 mt-10 -90.56 -35.98 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 75.14 110.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.041 HD22 HG13 ' A' ' 48' ' ' VAL . 2.9 tt -68.51 -46.79 68.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 70.53 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.603 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -69.87 -12.43 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 62.03 109.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -69.68 -24.49 63.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 62.43 110.382 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.523 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.0 t -91.36 -59.46 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 64.13 109.267 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.53 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 85.3 mtp -42.79 -57.37 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 64.15 111.015 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -57.37 -26.76 61.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 75.02 110.326 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' VAL . 1.4 t -76.35 -29.19 57.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 74.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.051 HD13 HG23 ' A' ' 465' ' ' ILE . 15.0 mt -76.97 -20.73 55.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 70.03 109.31 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.09 2.71 8.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 53.54 111.009 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.9 mt -80.43 -177.16 6.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 52.33 109.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 92.0 p -162.57 60.39 1.03 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 63.33 110.018 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.99 154.82 42.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 72.33 111.0 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -94.97 139.89 30.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 71.25 110.025 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.5 tt0 -46.3 -27.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 75.13 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.94 -47.54 74.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 70.24 109.309 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.595 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.0 OUTLIER -75.1 -51.86 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 73.23 110.319 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.041 HG13 HD22 ' A' ' 32' ' ' LEU . 52.5 t -39.96 -30.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 54.05 109.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' ASN . 89.7 m-20 -77.88 -63.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 71.35 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -48.07 -23.15 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 73.33 109.277 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.797 HD21 ' HB3' ' A' ' 471' ' ' MET . 1.4 tm? -76.38 -59.42 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 71.32 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.588 ' HB2' HD11 ' A' ' 63' ' ' ILE . 9.4 ptm -74.33 -4.11 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 61.33 111.022 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.6 m-80 -90.15 -8.15 51.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 62.31 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.614 ' C ' HD13 ' A' ' 55' ' ' ILE . 2.6 mt-10 -95.65 -6.02 41.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 71.31 110.33 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.628 HD12 ' CD1' ' A' ' 71' ' ' LEU . 2.0 mm -117.65 -41.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 72.21 109.314 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 2.9 t0 -39.21 119.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 71.12 109.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 64.6 t -91.7 -13.22 8.95 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 CA-C-O 123.632 1.682 . . . . 72.3 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.1 p30 -117.46 -6.89 11.19 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.909 -1.043 . . . . 73.42 110.009 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.27 42.46 88.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 64.34 111.004 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.418 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 35.0 p-10 -93.84 12.97 24.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 71.13 109.309 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.658 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 7.8 t-80 64.79 28.25 12.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 74.41 109.576 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.435 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 41.8 mt-30 -152.13 174.69 13.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 64.43 110.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.588 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -122.8 128.83 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 73.31 109.327 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -93.46 172.99 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 63.14 110.288 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.924 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.3 t80 -74.05 -12.37 60.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 71.45 110.98 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.4 t -90.6 -45.63 8.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.21 109.993 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 11.6 mt-10 -69.36 -52.16 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 74.12 110.278 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -52.83 -44.38 66.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.44 111.011 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.792 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.79 -34.29 75.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 74.42 109.255 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.37 62.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 71.21 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.96 HD21 ' SD ' ' A' ' 471' ' ' MET . 6.0 tp -62.7 -52.97 61.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 65.13 109.316 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -59.81 -13.34 10.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 74.55 110.975 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.3 t -126.46 29.42 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 65.03 110.003 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.12 110.318 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.242 -0.651 . . . . 43.42 109.242 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -58.58 -35.8 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 60.22 109.291 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.562 ' HA ' ' HZ2' ' A' ' 90' ' ' LYS . 5.5 mm-40 -70.23 -56.58 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 65.12 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -63.0 -15.46 56.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 73.35 109.255 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 26.5 t80 -81.99 -42.61 19.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 52.43 110.96 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.562 ' HZ2' ' HA ' ' A' ' 87' ' ' GLU . 13.6 pttp -82.35 -23.24 35.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 74.34 109.309 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -74.19 -44.08 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.43 109.301 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.861 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 1.7 m-85 -67.93 -38.64 83.12 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.609 1.671 . . . . 74.41 110.977 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.3 OUTLIER -72.76 103.83 3.78 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.896 -1.049 . . . . 62.32 109.972 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.546 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -86.99 -34.64 19.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 71.34 109.318 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.25 -45.98 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.34 109.269 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.24 78.64 1.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 72.24 111.007 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.607 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.58 11.53 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 75.2 109.265 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.878 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.44 18.41 75.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.123 . . . . 54.41 111.007 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.5 mt -150.02 110.84 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 65.33 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.59 HD13 ' CB ' ' A' ' 92' ' ' PHE . 53.5 mt -74.95 102.98 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 61.34 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.0 t -68.07 175.99 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 64.35 109.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.64 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -48.45 -69.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 74.11 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 105' ' ' LEU . . . -42.57 -64.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 52.43 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.41 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 35.8 mt-10 -39.3 -28.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 73.34 110.302 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.683 HD13 HD11 ' A' ' 135' ' ' ILE . 3.3 tp -91.27 -72.4 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 71.04 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.881 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.9 -61.01 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 70.42 109.303 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.761 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.67 -42.94 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 63.15 109.546 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.861 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.2 t -65.85 -42.2 91.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 54.14 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.536 HD22 HG12 ' A' ' 108' ' ' VAL . 3.3 mm? -69.65 -20.79 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 55.33 109.318 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' LYS . 86.5 m -84.24 -12.7 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 73.3 110.385 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.781 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -82.11 -6.92 59.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 74.14 109.957 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.081 HG21 HD11 ' A' ' 465' ' ' ILE . 10.3 pt -112.18 -32.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 71.23 109.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.47 -31.44 0.94 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 70.33 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.422 ' HG3' ' CD ' ' A' ' 461' ' ' LYS . 5.1 mm-40 -63.67 104.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 73.23 110.31 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -102.64 91.9 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.13 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 120' ' ' GLU . 60.8 mt -104.57 141.8 35.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 72.2 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.5 p -76.13 -174.61 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 61.42 110.387 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -76.98 -18.2 58.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 63.24 109.311 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.72 -37.12 14.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 64.41 109.324 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.772 ' HB3' HD22 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -71.24 -31.37 67.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.12 110.285 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.881 HG21 ' HG2' ' A' ' 106' ' ' LYS . 9.0 p -83.87 -52.02 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 72.32 109.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.615 ' HA ' HD12 ' A' ' 125' ' ' LEU . 6.8 t70 -52.42 -20.87 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 74.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -90.62 -28.67 18.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 72.14 109.309 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.54 ' SD ' HD21 ' A' ' 105' ' ' LEU . 21.5 ttm -73.87 -32.53 63.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 73.22 110.985 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 122' ' ' ASP . 8.6 mt -65.02 -53.83 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 74.55 109.306 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' LEU . 19.7 mtt-85 -37.42 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 61.11 110.323 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 125' ' ' LEU . 74.4 mt-10 -46.36 -50.43 16.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.02 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.468 HG11 ' CB ' ' A' ' 142' ' ' ALA . 24.7 m -132.14 13.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 61.52 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.2 p -98.76 7.99 45.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 55.21 110.043 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 32.9 t70 39.57 42.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 72.41 109.313 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.29 46.6 92.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 34.21 111.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' SER . 31.8 t -104.27 -76.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 74.45 109.96 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.421 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 149.85 -16.92 1.08 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 75.1 111.001 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.448 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 22.6 mt-10 -136.66 160.11 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 63.41 110.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.683 HD11 HD13 ' A' ' 105' ' ' LEU . 2.2 pt -127.62 124.27 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 73.03 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.641 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -90.73 -179.13 5.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 74.22 109.334 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.92 HG23 ' OE1' ' A' ' 138' ' ' GLN . 3.0 tp -54.35 -19.06 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 71.25 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.92 ' OE1' HG23 ' A' ' 137' ' ' ILE . 13.9 mm100 -87.98 -52.1 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 75.42 110.267 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.689 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 23.1 mt-30 -69.36 -57.45 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 74.45 110.302 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.413 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 38.4 t80 -41.27 -53.67 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 75.2 111.022 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 1.019 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -51.14 -37.4 45.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.41 109.33 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -45.55 -43.62 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 64.02 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.3 mt -62.71 -44.11 97.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 74.11 109.362 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.876 HD12 HD22 ' A' ' 85' ' ' LEU . 7.5 mt -86.71 11.3 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 75.25 109.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 141' ' ' ALA . 17.1 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 62.25 109.977 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' ARG . . . . . 0.482 ' CZ ' ' OE1' ' A' ' 127' ' ' GLU . 1.1 mmt85 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.335 -0.246 . . . . 72.14 110.335 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -12.79 59.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.3 109.316 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -84.45 -16.57 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 71.43 109.337 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -53.73 26.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 53.31 109.314 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -59.53 -34.63 72.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 70.45 110.276 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.596 ' HA ' HD12 ' A' ' 463' ' ' LEU . 11.8 t30 -57.65 -46.25 84.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 53.1 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.653 ' O ' HD12 ' A' ' 465' ' ' ILE . 3.1 ttmt -48.24 -32.43 7.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 72.13 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.645 HG23 ' HE1' ' A' ' 92' ' ' PHE . 17.9 mt -86.46 -33.26 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 74.22 109.284 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 460' ' ' ASN . 74.8 mt -48.99 -44.86 41.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 62.52 109.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 1.004 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -73.48 -58.01 3.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 61.33 109.307 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.081 HD11 HG21 ' A' ' 112' ' ' ILE . 13.4 mt -43.15 -30.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 74.02 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.84 -72.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 63.43 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.468 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 15.1 mmtt -36.6 -68.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 73.13 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.723 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 21.1 t -40.0 -44.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 63.01 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 466' ' ' ALA . 8.7 t -66.47 -68.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 74.14 109.991 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.471 ' HD3' ' CG2' ' A' ' 474' ' ' VAL . 0.2 OUTLIER -36.22 -47.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 72.1 110.309 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.96 ' SD ' HD21 ' A' ' 71' ' ' LEU . 27.6 mtp -47.59 -48.07 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 73.21 111.014 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 43' ' ' PRO . 14.3 t80 -55.54 -28.79 56.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 73.12 111.041 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.3 t -79.84 -19.94 47.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 73.54 110.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.471 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 59.0 t -87.5 -54.09 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 72.31 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -39.57 -31.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 70.34 109.252 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 476' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 73.21 110.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.7 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.421 -0.215 . . . . 75.0 110.421 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -42.01 -38.58 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 54.15 110.268 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.19 -44.86 82.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 73.15 110.291 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 5' ' ' THR . 18.1 mm100 -57.81 -29.12 64.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 73.33 110.304 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.776 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 1.1 mm -73.65 -22.96 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.04 109.291 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.3 -13.02 59.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 50.34 109.258 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -75.5 -69.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 74.2 110.303 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 49.4 m-85 -43.77 -26.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.3 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -51.96 -47.04 64.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 65.42 109.286 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.546 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 7.8 mm-40 -65.52 -49.12 70.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 64.22 110.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -60.06 -17.15 37.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 75.31 109.306 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 1.8 t80 -79.36 -40.5 30.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 73.44 111.01 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.98 68.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 70.32 109.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.902 HD21 ' HG2' ' A' ' 461' ' ' LYS . 63.2 mt -40.11 -41.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 61.33 109.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.759 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 6.3 m-85 -110.7 -53.05 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 63.23 111.045 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -53.31 90.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 73.1 109.316 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' PHE . 33.3 mmtt -68.3 -67.05 0.49 Allowed 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 123.615 1.674 . . . . 74.34 109.273 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -74.36 -5.99 45.55 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.88 -1.057 . . . . 63.22 109.977 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 50.46 55.88 8.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 74.32 109.332 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.7 p30 -88.11 -22.13 24.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 64.41 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.82 32.6 3.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 61.33 111.019 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.6 p -168.83 112.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 72.45 110.022 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 19' ' ' PHE . 74.4 mt -91.12 101.83 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 74.12 109.323 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 p -64.02 165.14 9.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 74.03 110.014 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -16.17 62.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 71.12 109.95 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.79 -25.05 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 54.41 110.023 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -90.63 -31.45 16.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 63.22 110.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.976 HD22 HG13 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -72.01 -45.81 59.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 64.2 109.281 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.687 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -74.13 -12.64 60.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 60.54 109.35 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -23.31 62.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 71.2 110.39 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.533 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -91.49 -56.54 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 65.1 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.59 ' HE2' HD13 ' A' ' 41' ' ' LEU . 60.1 mtp -42.11 -50.08 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 74.1 111.008 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -65.17 -34.65 78.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 71.35 110.282 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' VAL . 7.2 p -60.98 -17.53 52.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 73.54 110.015 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.893 HD13 HG23 ' A' ' 465' ' ' ILE . 17.1 mt -91.98 -15.96 27.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 73.33 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.84 7.3 8.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.153 . . . . 55.34 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.59 HD13 ' HE2' ' A' ' 36' ' ' MET . 8.3 mt -86.95 -177.54 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 65.34 109.286 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -163.94 60.87 0.89 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 72.01 109.99 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.1 Cg_endo -75.01 139.39 24.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 74.5 110.997 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.35 140.09 38.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 53.24 109.995 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -53.11 -27.52 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 70.21 110.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.81 76.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 64.04 109.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.587 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.3 mt-10 -75.32 -50.03 17.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 71.25 110.334 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.976 HG13 HD22 ' A' ' 32' ' ' LEU . 39.1 t -39.81 -42.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 74.35 109.255 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.432 ' C ' ' N ' ' A' ' 51' ' ' LEU . 90.5 m-20 -68.21 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 51.55 109.274 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.763 ' OD1' HD13 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -47.57 -23.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 63.21 109.308 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 471' ' ' MET . 0.0 OUTLIER -77.97 -68.16 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 61.44 109.293 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.535 ' HB2' HD11 ' A' ' 63' ' ' ILE . 9.1 ptm -60.39 -12.3 9.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 65.24 110.979 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 0.8 OUTLIER -77.66 -7.63 56.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 73.52 109.277 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -96.18 -15.59 21.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 64.45 110.262 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.64 HD12 HD12 ' A' ' 71' ' ' LEU . 3.4 mm -106.2 -46.18 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 72.52 109.317 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 7.0 t0 -38.14 117.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 32.03 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -89.73 -19.17 7.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 123.577 1.656 . . . . 75.04 109.266 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 41.2 p-10 -108.25 -5.91 16.61 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.913 -1.041 . . . . 75.41 109.951 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.484 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 52.28 42.93 56.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 65.12 111.025 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 35.3 p-10 -95.05 12.27 29.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 72.43 109.313 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.651 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 9.6 t-80 65.85 30.48 9.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 72.2 109.605 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 53.2 mt-30 -153.77 -179.93 8.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 62.32 110.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.535 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -128.57 129.49 68.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 73.24 109.294 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 5.1 mt-10 -94.69 175.42 6.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 74.32 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.776 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 2.2 t80 -73.63 -12.88 60.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 64.21 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.0 m -92.37 -46.81 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 72.44 109.982 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.2 -47.59 76.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 73.51 110.301 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -57.98 -40.52 80.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 75.42 110.998 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.74 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -74.05 -30.16 62.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 62.22 109.309 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.72 -15.65 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 74.24 109.337 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.64 HD12 HD12 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -70.42 -49.57 47.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 73.32 109.292 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.526 ' HE1' ' HB2' ' A' ' 467' ' ' LYS . 6.5 mmt -59.43 -31.6 69.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 75.34 111.035 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.5 p -91.15 17.39 8.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 52.04 109.961 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 73.5 110.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.036 HD22 HD12 ' A' ' 144' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 65.35 109.313 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 87' ' ' GLU . 2.8 pp -65.94 -46.1 79.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 75.42 109.307 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.528 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 22.2 mm-40 -57.58 -35.13 69.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 74.33 110.345 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.898 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -85.34 -25.74 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 74.33 109.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HA ' HD11 ' A' ' 100' ' ' ILE . 14.0 t80 -64.14 -62.7 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 72.22 110.978 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -62.97 -37.33 86.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 72.21 109.34 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 2.1 t -54.17 -59.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 62.34 109.336 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.937 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.8 m-85 -59.76 -44.54 93.8 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 123.613 1.673 . . . . 71.31 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -69.86 99.73 1.43 Allowed 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.893 -1.051 . . . . 72.31 110.001 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -31.16 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 74.4 109.322 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -77.39 -44.74 28.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 72.51 109.286 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.61 78.86 1.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 73.11 111.014 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.668 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.0 11.36 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 64.13 109.31 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.728 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.09 15.47 72.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.087 . . . . 14.4 110.973 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.1 mt -147.59 111.5 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 73.21 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.618 HD13 ' CB ' ' A' ' 92' ' ' PHE . 64.9 mt -76.13 102.07 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 53.35 109.257 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.0 t -65.98 175.2 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 73.11 109.966 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -49.7 -67.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 54.54 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -42.21 -65.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 74.02 109.277 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ALA . 35.3 mt-10 -38.91 -28.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 72.15 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.897 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -90.94 -72.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 70.42 109.31 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.605 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.35 -58.72 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 74.24 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.723 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.97 -39.07 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.33 109.58 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.937 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -69.87 -56.25 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 71.42 109.326 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.467 HD12 ' CB ' ' A' ' 114' ' ' GLU . 3.6 mm? -49.32 -32.75 11.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 74.03 109.333 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.2 m -78.4 -27.75 46.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 73.24 110.416 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.724 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -64.95 -11.51 39.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 73.33 109.959 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.058 HG21 HD11 ' A' ' 465' ' ' ILE . 17.0 pt -112.65 -33.29 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 74.4 109.265 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 115' ' ' LYS . . . 153.68 -35.6 0.74 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 35.01 111.011 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.467 ' CB ' HD12 ' A' ' 109' ' ' LEU . 4.5 mm-40 -59.05 108.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 71.21 110.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 113' ' ' GLY . 16.6 mttt -109.82 91.1 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 73.23 109.294 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' ' 120' ' ' GLU . 4.8 mp -98.78 142.64 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 63.25 109.312 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.5 p -72.44 153.32 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 71.41 110.395 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -51.33 -22.7 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 54.14 109.328 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.21 -40.56 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 74.25 109.283 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.672 ' HB3' HD23 ' A' ' 116' ' ' LEU . 21.9 mm-40 -63.96 -47.02 82.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 73.14 110.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.605 HG21 ' HG2' ' A' ' 106' ' ' LYS . 2.3 p -65.67 -50.06 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 61.01 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.517 ' HA ' HD12 ' A' ' 125' ' ' LEU . 7.8 t70 -48.92 -23.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 71.44 109.239 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.06 -34.32 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 62.24 109.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' VAL . 6.0 tpp -61.21 -39.1 88.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 75.23 111.001 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 122' ' ' ASP . 2.5 mt -63.57 -57.35 10.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 73.12 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 125' ' ' LEU . 24.3 mtt-85 -37.36 -30.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 74.33 110.272 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 125' ' ' LEU . 97.1 mt-10 -46.49 -50.87 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 71.14 110.301 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 22.1 m -132.37 14.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 75.33 109.274 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.2 p -99.96 8.77 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.23 110.033 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 129' ' ' SER . 26.2 t0 38.91 46.58 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 62.44 109.293 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.1 46.95 68.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 74.1 111.034 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' SER . 30.1 t -104.65 -77.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 73.1 109.965 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 151.58 -18.33 0.88 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 73.4 111.02 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 21.8 mt-10 -135.25 157.97 45.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 75.42 110.362 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.897 HD11 ' CD1' ' A' ' 105' ' ' LEU . 5.5 pt -127.24 127.37 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 72.42 109.309 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.629 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -93.91 177.72 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 70.24 109.317 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.449 ' CD1' HD12 ' A' ' 85' ' ' LEU . 10.7 tp -49.61 -22.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 74.23 109.341 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 136' ' ' ASN . 4.4 mm-40 -83.78 -55.75 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 53.42 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.716 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 43.1 mt-30 -68.28 -57.09 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 73.13 110.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.451 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 44.5 t80 -41.43 -52.72 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 74.3 110.998 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.985 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -56.19 -36.22 68.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 74.35 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -45.48 -34.48 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 63.23 109.287 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.412 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.1 mt -68.92 -46.63 67.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 54.34 109.314 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.036 HD12 HD22 ' A' ' 85' ' ' LEU . 2.9 mt -69.74 -8.04 44.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 72.02 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 72.22 110.002 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 26.8 mmt-85 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.309 -0.256 . . . . 75.43 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.402 ' NZ ' ' CB ' ' A' ' 456' ' ' LYS . 0.0 OUTLIER -83.91 -21.31 31.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 73.31 109.275 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 457' ' ' ALA . . . . . 0.546 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -91.91 -16.1 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 61.01 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -53.18 7.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 75.13 109.34 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 460' ' ' ASN . 4.0 ptp180 -61.23 -38.22 85.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 73.01 110.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.617 ' HA ' HD12 ' A' ' 463' ' ' LEU . 2.7 t-20 -58.39 -34.01 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 64.55 109.291 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.902 ' HG2' HD21 ' A' ' 18' ' ' LEU . 6.7 ttmt -56.82 -28.43 61.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 71.03 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.704 HG23 ' HE1' ' A' ' 92' ' ' PHE . 23.1 mt -89.79 -41.93 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 71.45 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 460' ' ' ASN . 92.7 mt -40.55 -38.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 74.2 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.496 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -76.6 -58.1 3.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 63.11 109.342 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.058 HD11 HG21 ' A' ' 112' ' ' ILE . 9.0 mt -41.2 -29.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 72.31 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.898 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -81.33 -72.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 70.45 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.526 ' HB2' ' HE1' ' A' ' 72' ' ' MET . 3.9 mttm -49.44 -61.34 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.21 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.759 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 75.8 t -38.87 -37.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 73.15 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.75 -54.29 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 75.54 109.981 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.1 OUTLIER -51.21 -39.94 57.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 73.54 110.296 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.805 ' HB3' HD11 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -45.56 -33.94 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 74.25 111.022 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 28.9 t80 -87.16 -24.24 24.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 74.44 111.005 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 470' ' ' ARG . 43.8 t -88.31 -5.31 58.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 53.13 110.007 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 475' ' ' LEU . 14.8 p -107.1 -46.61 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 50.02 109.28 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.763 HD13 ' OD1' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -40.03 -35.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 61.24 109.31 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 72.12 110.265 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 8.0 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.413 -0.217 . . . . 73.13 110.413 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -44.21 -38.87 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.31 110.338 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.71 -38.29 88.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 72.31 110.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.521 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 20.9 mm100 -68.29 -31.65 71.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 61.21 110.31 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.625 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 3.8 mm -64.97 -22.84 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 53.41 109.32 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.07 -12.71 49.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 63.54 109.318 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 77.0 mt-10 -76.48 -57.72 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.15 110.278 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 26.2 m-85 -58.92 -14.63 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.51 110.971 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.467 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 12.5 mtmt -61.98 -28.56 69.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 74.02 109.338 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -79.92 -52.18 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 62.55 110.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.842 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -56.82 -17.69 10.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 73.42 109.26 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.3 t80 -78.73 -40.08 34.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 72.21 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -19.41 59.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 74.13 109.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.649 ' CD2' HD12 ' A' ' 112' ' ' ILE . 54.4 mt -50.69 -40.83 54.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.44 109.299 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 4.5 m-85 -110.05 -34.76 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 74.23 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -69.69 84.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.5 109.284 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.669 ' HE3' HG21 ' A' ' 34' ' ' THR . 24.4 mmtt -62.06 -66.86 0.47 Allowed 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 123.656 1.693 . . . . 75.42 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.455 ' OD1' ' CB ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.65 -8.93 58.03 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.854 -1.07 . . . . 62.23 109.963 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 54.0 57.78 5.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 71.31 109.304 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.455 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . 10.8 p30 -91.92 -20.01 21.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 74.35 109.277 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.41 34.69 3.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 63.45 110.98 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 p -168.71 112.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 0.755 . . . . 63.43 110.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.535 HD13 ' HB2' ' A' ' 19' ' ' PHE . 59.7 mt -94.39 100.41 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 61.41 109.256 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 p -65.58 162.31 18.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 34.44 110.0 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 t -57.45 -17.07 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.22 110.022 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.2 -22.66 21.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 72.22 109.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -90.39 -30.0 17.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.43 110.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.964 HD22 HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -75.08 -49.27 20.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 74.12 109.319 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.717 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -70.69 -12.37 61.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 71.15 109.29 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.669 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -68.39 -24.08 64.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 52.44 110.369 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.1 t -91.45 -61.79 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 71.04 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.526 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 98.9 mtp -39.03 -57.65 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 75.13 111.041 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -51.97 -41.44 62.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 64.15 110.33 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' VAL . 6.2 p -55.56 -36.56 66.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 74.12 109.979 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.927 HD13 HG23 ' A' ' 465' ' ' ILE . 17.8 mt -68.55 -21.3 64.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 62.35 109.296 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.02 2.13 8.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 64.15 110.977 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -79.01 -177.16 5.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 72.24 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.488 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 27.9 t -162.32 60.15 1.04 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 21.23 109.976 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.05 140.81 25.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 53.34 111.005 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -81.57 140.22 34.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 72.12 109.996 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -52.75 -27.26 17.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 62.43 110.297 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.67 -49.41 75.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 64.2 109.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 49' ' ' ASN . 1.9 mt-10 -74.94 -51.62 13.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 74.23 110.277 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.964 HG13 HD22 ' A' ' 32' ' ' LEU . 54.6 t -40.18 -29.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 73.44 109.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 47' ' ' GLU . 83.4 m-20 -76.1 -67.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 52.43 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -46.62 -24.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 75.44 109.321 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.886 ' HB2' HD22 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -76.37 -68.58 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 71.2 109.287 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.466 ' HB2' HD11 ' A' ' 63' ' ' ILE . 8.5 ptm -61.24 -11.8 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 60.4 110.962 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -78.38 -7.83 57.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 71.1 109.314 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.604 ' C ' HD13 ' A' ' 55' ' ' ILE . 12.8 mm-40 -95.45 -11.89 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 60.44 110.316 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.719 HG21 ' HB2' ' A' ' 71' ' ' LEU . 1.3 mm -107.97 -49.48 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 64.31 109.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 6.5 t0 -39.18 119.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 75.42 109.272 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.606 HG23 ' HG2' ' A' ' 67' ' ' GLU . 73.2 t -86.38 -27.88 6.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 123.592 1.663 . . . . 55.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.9 p-10 -100.77 -6.67 24.6 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.892 -1.052 . . . . 70.34 109.998 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.499 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.9 42.28 79.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 54.51 111.027 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.405 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 32.9 p-10 -92.68 11.66 25.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 74.11 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.661 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 9.6 t-80 66.03 33.28 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 73.53 109.586 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 51.3 mt-30 -156.07 165.06 37.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 71.31 110.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.466 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -114.69 128.77 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 60.44 109.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.463 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -95.93 175.93 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 71.53 110.278 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.625 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 2.3 t80 -71.28 -13.14 61.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 71.3 110.99 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -91.8 -43.36 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 73.31 109.979 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.606 ' HG2' HG23 ' A' ' 57' ' ' VAL . 26.7 mt-10 -69.05 -52.35 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 60.31 110.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -52.5 -44.32 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 72.55 111.006 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.793 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -69.91 -34.45 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 74.14 109.33 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.84 -15.64 60.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 73.41 109.326 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.719 ' HB2' HG21 ' A' ' 55' ' ' ILE . 36.6 tp -75.28 -46.29 34.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 72.55 109.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.424 ' CE ' ' HD3' ' A' ' 467' ' ' LYS . 2.4 mmt -48.08 -36.96 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 63.22 110.998 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.3 p -76.09 -28.06 57.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 73.42 109.955 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 73.4 110.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.927 ' HG ' HD12 ' A' ' 144' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.32 -0.622 . . . . 70.1 109.32 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -40.49 -36.25 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 73.53 109.312 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.619 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.1 mm-40 -73.13 -48.94 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 72.21 110.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.674 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -67.94 -16.28 63.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 64.03 109.335 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 85' ' ' LEU . 12.4 t80 -73.75 -64.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 74.12 110.991 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -65.5 -30.24 70.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 32.15 109.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 87' ' ' GLU . 5.9 t -61.43 -54.67 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 74.43 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.937 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.9 m-85 -65.0 -45.89 83.72 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.62 1.676 . . . . 70.04 111.016 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.19 98.77 0.83 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.906 -1.045 . . . . 74.23 109.968 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.94 -29.25 22.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 65.33 109.285 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.444 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -79.09 -42.95 25.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 63.24 109.299 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.58 77.46 1.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 63.41 110.987 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.741 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -137.26 8.84 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 71.21 109.329 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.457 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 71.55 11.61 72.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 71.45 111.027 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.758 HD23 ' HB3' ' A' ' 136' ' ' ASN . 2.2 mt -144.28 113.74 7.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 71.42 109.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.554 HD13 ' CB ' ' A' ' 92' ' ' PHE . 57.1 mt -76.8 104.84 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 72.01 109.282 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.4 t -67.37 -175.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 63.31 109.956 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.49 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -56.91 -70.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 72.33 109.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.82 -66.22 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 62.2 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.408 ' OE2' ' HA ' ' A' ' 100' ' ' ILE . 33.9 mt-10 -38.32 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 75.3 110.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.763 HD13 HD11 ' A' ' 135' ' ' ILE . 3.9 tp -89.73 -71.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 71.23 109.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.844 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -47.25 -60.66 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 73.32 109.332 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.585 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.56 -41.43 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 52.42 109.602 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.937 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.3 t -67.07 -42.97 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 72.35 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.611 HD12 ' CB ' ' A' ' 114' ' ' GLU . 2.5 mm? -60.93 -38.21 85.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 73.13 109.259 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.5 m -77.54 -27.05 51.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 71.54 110.413 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -65.13 -12.45 51.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 75.43 110.022 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.829 HG21 HD11 ' A' ' 465' ' ' ILE . 12.0 pt -112.8 -32.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 75.42 109.332 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 154.92 -35.35 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 63.13 111.023 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.611 ' CB ' HD12 ' A' ' 109' ' ' LEU . 7.7 mm-40 -61.05 106.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 70.01 110.287 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -103.8 95.46 6.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 70.51 109.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 120' ' ' GLU . 3.9 mp -107.77 142.31 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 74.44 109.265 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.453 HG23 ' OE1' ' A' ' 120' ' ' GLU . 13.7 p -74.15 152.34 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 74.31 110.39 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.442 ' HA ' HG12 ' A' ' 121' ' ' VAL . 1.1 m-20 -51.92 -21.81 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 70.22 109.295 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.38 -34.62 23.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 72.42 109.299 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.666 ' HB3' HD23 ' A' ' 116' ' ' LEU . 47.3 mt-10 -73.33 -29.68 62.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 75.11 110.321 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.844 HG21 ' HG2' ' A' ' 106' ' ' LYS . 9.9 p -81.88 -52.93 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 45.11 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.529 ' N ' HG13 ' A' ' 121' ' ' VAL . 10.2 t70 -49.79 -23.04 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 72.42 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.02 -31.89 16.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 71.31 109.328 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.517 ' HE3' HD22 ' A' ' 116' ' ' LEU . 34.1 ttm -64.65 -37.75 88.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 73.53 111.016 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.49 HD11 ' HA ' ' A' ' 102' ' ' ALA . 12.7 mt -64.56 -56.92 10.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 64.53 109.317 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -38.26 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 54.04 110.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 125' ' ' LEU . 15.0 mm-40 -49.15 -50.58 36.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 71.32 110.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.432 HG21 ' HB3' ' A' ' 142' ' ' ALA . 16.7 m -132.75 17.55 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 74.53 109.255 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.5 p -102.67 2.32 35.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 72.12 109.99 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.2 t0 45.15 48.36 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 74.34 109.277 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 49.28 36.23 22.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 55.34 110.975 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 129' ' ' SER . 94.4 p -88.05 -72.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 73.21 110.032 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.64 -16.58 1.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 70.23 111.012 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.7 mt-10 -141.57 170.11 16.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 71.23 110.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.763 HD11 HD13 ' A' ' 105' ' ' LEU . 3.8 pt -135.88 122.44 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.04 109.291 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.758 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -93.06 175.84 6.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 72.53 109.318 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 137' ' ' ILE . 7.3 tp -46.97 -24.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 73.33 109.308 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -81.55 -58.07 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 54.55 110.306 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.618 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 58.3 mt-30 -66.06 -58.29 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 54.31 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' ASN . 9.4 t80 -43.21 -48.76 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 73.04 111.051 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.644 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -53.24 -36.55 61.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 72.11 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -45.35 -49.18 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 33.1 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -42.95 91.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 71.24 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.927 HD12 ' HG ' ' A' ' 85' ' ' LEU . 1.4 mt -74.18 -3.41 29.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.21 109.266 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 70.41 110.017 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 35.2 mmt-85 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.301 -0.259 . . . . 73.01 110.301 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.452 ' HA ' ' NH2' ' A' ' 459' ' ' ARG . 0.1 OUTLIER -77.79 -21.78 51.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 70.45 109.306 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.15 -16.12 28.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 61.41 109.264 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.5 OUTLIER -69.02 -42.33 76.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 75.03 109.27 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.487 ' O ' HD13 ' A' ' 463' ' ' LEU . 1.9 ptp85 -76.25 -26.91 56.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 75.44 110.321 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.495 ' HA ' HD22 ' A' ' 463' ' ' LEU . 14.4 t30 -66.19 -31.2 71.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 74.21 109.339 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.66 ' HG2' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -54.91 -26.87 38.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 60.25 109.28 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.751 HG23 ' HE1' ' A' ' 92' ' ' PHE . 8.5 mt -89.61 -37.65 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 71.15 109.332 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 460' ' ' ASN . 5.0 mp -40.88 -48.82 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 72.43 109.308 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.842 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -69.73 -59.58 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 75.24 109.343 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 0.927 HG23 HD13 ' A' ' 39' ' ' LEU . 76.3 mt -39.91 -30.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 75.23 109.281 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.674 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.49 -72.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 70.33 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 470' ' ' ARG . 22.4 mttm -39.8 -67.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 73.03 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.564 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 35.3 t -45.09 -51.21 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 71.43 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 10.9 t -55.88 -31.7 63.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 72.2 109.998 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -76.72 -40.14 49.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 62.52 110.305 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.609 ' HB3' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -47.81 -22.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 72.44 110.974 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.526 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 18.0 t80 -92.22 -28.21 17.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 73.04 111.038 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 470' ' ' ARG . 9.9 t -87.1 -1.86 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 52.34 110.01 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.421 ' HB ' ' CD ' ' A' ' 470' ' ' ARG . 12.2 p -109.08 -46.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 62.12 109.283 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.886 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -42.23 -33.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 72.35 109.281 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 71.35 110.279 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.434 -0.21 . . . . 62.24 110.434 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 7' ' ' GLU . 11.9 pt-20 -40.97 -40.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.03 110.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 1.9 tp10 -62.86 -52.55 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 73.33 110.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.502 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 8.6 mm100 -49.91 -30.36 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 61.24 110.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.917 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.2 mm -71.79 -35.3 54.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 70.21 109.272 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.33 -12.62 60.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 71.25 109.309 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.795 ' HB3' ' HZ3' ' A' ' 456' ' ' LYS . 89.0 mt-10 -74.3 -61.04 2.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 62.11 110.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 24.5 m-85 -59.9 -14.05 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 75.34 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 1.1 mttt -64.93 -22.27 66.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 72.23 109.284 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.58 -57.79 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 44.04 110.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.038 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -52.96 -20.96 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 60.43 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.481 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.9 t80 -75.66 -39.03 58.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 70.41 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -28.01 66.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 71.42 109.307 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.975 HD21 ' HG3' ' A' ' 461' ' ' LYS . 65.5 mt -43.17 -39.75 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 71.35 109.316 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HZ ' HG11 ' A' ' 468' ' ' VAL . 5.2 m-85 -110.44 -45.85 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 75.11 111.024 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.481 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -58.8 86.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 74.41 109.272 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HE3' HG21 ' A' ' 34' ' ' THR . 63.7 mmtt -65.79 -67.28 0.46 Allowed 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.62 1.676 . . . . 73.23 109.352 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -73.92 -12.95 60.81 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.875 -1.059 . . . . 70.43 109.965 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 57.73 62.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 61.33 109.316 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.3 p30 -97.03 -22.01 17.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 73.12 109.345 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.83 33.79 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 72.32 111.028 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.98 111.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 75.54 109.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 19' ' ' PHE . 75.4 mt -91.83 101.19 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 62.4 109.328 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -68.07 165.76 17.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 72.52 110.005 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' HG11 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -61.22 -15.46 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 52.42 110.033 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.7 -24.93 22.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 65.02 110.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -90.73 -29.9 17.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 53.53 110.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.04 HD22 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -74.82 -48.78 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 72.12 109.345 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.656 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -69.88 -12.37 61.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 74.44 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.512 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -69.95 -25.53 63.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 63.3 110.379 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.524 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.0 t -91.49 -62.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 63.11 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.471 ' HE1' ' HB2' ' A' ' 472' ' ' PHE . 90.3 mtp -41.64 -46.34 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.31 111.001 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.4 ptm180 -62.36 -43.54 98.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 73.54 110.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 25.6 m -56.13 -35.66 67.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 64.11 109.98 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.04 HD13 HG23 ' A' ' 465' ' ' ILE . 4.0 mt -69.96 -22.34 63.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 70.32 109.331 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.32 -4.9 8.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 50.43 111.004 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 36' ' ' MET . 15.2 mt -70.06 177.33 3.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 64.41 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.527 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 16.0 p -157.56 58.17 1.42 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 62.41 109.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.572 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.5 Cg_endo -74.92 114.01 3.93 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.538 1.809 . . . . 71.5 111.043 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.67 140.58 54.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 73.02 109.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -46.3 -28.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 73.44 110.26 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.34 77.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 54.33 109.288 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.5 mm-40 -74.77 -49.92 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.03 110.256 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.04 HG13 HD22 ' A' ' 32' ' ' LEU . 53.4 t -41.11 -39.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 63.51 109.313 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' ASN . 93.0 m-20 -65.41 -61.23 2.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 74.35 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.0 -16.1 11.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 71.44 109.273 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.5 tm? -82.18 -51.26 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 64.12 109.271 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.403 ' HB3' HD13 ' A' ' 32' ' ' LEU . 6.3 ptm -79.06 -13.33 59.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 70.41 110.98 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 m120 -85.27 -8.77 58.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 74.41 109.324 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.59 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.3 mm-40 -85.94 -12.24 51.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 63.21 110.295 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.634 HD12 ' CD1' ' A' ' 71' ' ' LEU . 2.0 mm -117.83 -39.78 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 71.43 109.339 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 2.6 t0 -38.92 119.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 73.51 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 67' ' ' GLU . 2.6 p -93.04 -31.55 4.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 CA-C-O 123.615 1.674 . . . . 74.14 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 49.7 p30 -92.51 -7.32 47.67 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.946 -1.026 . . . . 70.31 110.022 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.34 42.08 88.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 63.43 111.028 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.409 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 39.4 p-10 -96.97 10.22 39.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 74.43 109.268 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.72 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 3.4 t-80 66.83 32.26 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 70.02 109.639 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 42.7 mt-30 -152.96 -175.86 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 65.13 110.32 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.18 126.19 58.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 60.22 109.286 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -93.52 177.92 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 52.44 110.295 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.917 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 4.2 t80 -76.01 -13.3 60.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 50.11 110.987 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 p -90.43 -44.26 9.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 53.31 109.998 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG2' ' CG1' ' A' ' 57' ' ' VAL . 10.3 mt-10 -70.29 -53.17 17.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 71.04 110.295 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -51.81 -45.38 63.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.35 111.016 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.726 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.22 -31.8 69.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 72.13 109.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.68 -16.43 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 31.04 109.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.634 ' CD1' HD12 ' A' ' 55' ' ' ILE . 5.0 tp -73.74 -50.91 18.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 74.34 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.463 ' SD ' ' CD ' ' A' ' 467' ' ' LYS . 6.2 mmt -56.05 -42.61 76.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 75.01 111.011 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.1 p -82.18 6.06 17.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 73.41 110.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.41 110.282 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.881 ' HB3' HD11 ' A' ' 137' ' ' ILE . 7.8 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.28 -0.637 . . . . 55.13 109.28 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 87' ' ' GLU . 2.8 pp -57.76 -46.91 83.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 72.41 109.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.551 ' N ' HD12 ' A' ' 86' ' ' LEU . 36.2 mm-40 -51.58 -44.89 62.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 71.32 110.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -80.5 -24.63 39.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 72.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.9 t80 -66.04 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 71.1 110.99 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -60.95 -31.34 70.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 75.53 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.3 t -62.7 -54.72 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 75.43 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.949 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.2 m-85 -64.39 -41.7 96.52 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.659 1.695 . . . . 70.21 111.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.426 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.3 OUTLIER -71.9 101.93 2.78 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.927 -1.035 . . . . 74.34 109.995 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 -33.27 19.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 61.34 109.297 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.61 -44.97 32.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 74.41 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.04 78.58 1.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 75.2 111.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.606 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.44 11.34 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 72.44 109.306 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.869 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.97 18.45 74.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 75.42 111.001 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -150.03 110.92 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 70.25 109.268 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.59 HD13 ' CB ' ' A' ' 92' ' ' PHE . 57.4 mt -75.58 104.12 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 73.02 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.1 p -69.66 173.27 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 74.12 110.015 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.594 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -44.67 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 60.44 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.75 -66.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 64.13 109.282 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 33.5 mt-10 -37.94 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 60.15 110.281 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.834 HD23 HG23 ' A' ' 121' ' ' VAL . 3.0 tp -89.99 -72.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 70.31 109.304 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.595 ' CB ' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -46.57 -60.02 2.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 73.14 109.269 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.668 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.22 -41.5 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 72.32 109.564 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.949 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -68.6 -41.81 83.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 73.34 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' LYS . 0.7 OUTLIER -61.44 -38.15 86.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 50.2 109.283 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.0 m -81.28 -10.17 59.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 72.12 110.38 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.89 0.07 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 70.22 109.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.973 HG21 HD11 ' A' ' 465' ' ' ILE . 2.6 pt -112.72 -33.05 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 72.11 109.298 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.422 ' N ' HG13 ' A' ' 112' ' ' ILE . . . 150.25 -42.51 0.77 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 73.11 111.025 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.979 ' OE1' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -52.04 173.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 73.43 110.267 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 114' ' ' GLU . 14.4 mtmm -154.72 116.96 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 64.23 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.979 HD13 ' OE1' ' A' ' 114' ' ' GLU . 1.5 mp -125.85 138.34 53.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 75.01 109.329 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' GLU . 21.5 p -66.64 147.73 52.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 62.4 110.388 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.37 -21.79 3.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 73.11 109.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.72 -27.98 20.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 74.41 109.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' THR . 20.0 mm-40 -73.68 -47.92 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 72.42 110.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.834 HG23 HD23 ' A' ' 105' ' ' LEU . 11.6 p -67.07 -53.91 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 71.52 109.291 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.549 ' N ' HG13 ' A' ' 121' ' ' VAL . 8.8 t70 -50.74 -21.96 1.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 61.15 109.281 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -90.71 -31.93 16.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 53.21 109.302 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.515 ' SD ' HD21 ' A' ' 105' ' ' LEU . 14.3 ttm -63.21 -30.88 71.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 73.32 111.017 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' A' ' 102' ' ' ALA . 13.1 mt -65.95 -52.5 49.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 73.44 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' LEU . 37.9 mtt180 -37.87 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 64.25 110.288 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 89.6 mt-10 -48.86 -50.3 35.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.33 110.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.437 HG11 ' CB ' ' A' ' 142' ' ' ALA . 34.4 m -132.13 16.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 72.21 109.324 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 125' ' ' LEU . 38.5 p -106.17 3.58 28.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 73.45 109.991 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 129' ' ' SER . 20.0 t70 38.36 50.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 55.43 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 48.31 45.68 28.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 63.34 111.003 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 129' ' ' SER . 37.5 t -95.8 -69.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 71.31 110.001 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.17 -11.43 2.3 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 51.34 110.993 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.4 mt-10 -148.37 166.79 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 0.798 . . . . 75.24 110.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.564 HD11 HD13 ' A' ' 105' ' ' LEU . 7.3 pt -136.67 130.33 46.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 55.54 109.301 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.434 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -94.13 -176.28 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 54.03 109.267 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.909 HG23 ' OE1' ' A' ' 138' ' ' GLN . 6.5 tp -56.59 -17.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 74.33 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.909 ' OE1' HG23 ' A' ' 137' ' ' ILE . 14.4 mm100 -88.23 -50.86 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 61.52 110.283 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.707 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 62.2 mt-30 -70.3 -57.25 5.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 74.52 110.314 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' A' ' 143' ' ' LEU . 43.4 t80 -42.36 -51.48 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 74.21 110.966 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.24 -35.12 71.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 74.23 109.259 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.54 -38.74 9.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 64.05 109.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 140' ' ' PHE . 1.7 mt -57.69 -45.06 86.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 63.14 109.286 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.759 ' N ' HD23 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -75.93 -13.18 60.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 72.43 109.279 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 53.4 109.961 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.28 -0.267 . . . . 64.12 110.28 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.795 ' HZ3' ' HB3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -57.19 -22.87 43.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 75.12 109.286 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 457' ' ' ALA . . . . . 0.715 ' HB2' ' HE3' ' A' ' 456' ' ' LYS . . . -86.98 -21.6 26.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 74.32 109.307 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 458' ' ' LEU . 0.3 OUTLIER -61.08 -44.53 97.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 64.43 109.333 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.665 ' O ' HD13 ' A' ' 463' ' ' LEU . 2.1 ptp85 -77.09 -26.04 52.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.33 110.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.455 ' HA ' HD22 ' A' ' 463' ' ' LEU . 20.7 t30 -70.04 -29.43 66.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 62.14 109.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.975 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -57.72 -26.43 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 65.54 109.303 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.689 HG23 ' CE1' ' A' ' 92' ' ' PHE . 7.6 mt -89.16 -32.52 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 72.1 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 459' ' ' ARG . 6.1 mp -48.23 -46.17 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 74.23 109.307 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 1.038 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -68.28 -61.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 52.24 109.307 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.04 HG23 HD13 ' A' ' 39' ' ' LEU . 17.8 mt -47.05 -24.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 71.1 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -80.79 -63.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 74.22 109.341 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.463 ' CD ' ' SD ' ' A' ' 72' ' ' MET . 22.2 mttt -61.26 -63.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 75.52 109.346 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.912 HG22 ' O ' ' A' ' 464' ' ' ALA . 5.0 m -38.85 -31.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 65.42 109.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 467' ' ' LYS . 1.3 t -77.71 -56.97 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 73.45 110.029 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.0 OUTLIER -50.1 -44.83 52.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.34 110.329 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.654 ' HB3' HD21 ' A' ' 51' ' ' LEU . 14.1 mtm -45.81 -29.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 61.04 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 12.6 t80 -87.27 -27.46 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 60.41 110.997 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 470' ' ' ARG . 13.9 t -86.22 -2.06 58.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 73.42 110.018 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 470' ' ' ARG . 12.2 p -112.6 -44.85 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 71.33 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.1 OUTLIER -40.22 -33.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 63.42 109.333 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 476' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 73.13 110.345 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.387 -0.227 . . . . 64.11 110.387 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -53.93 -23.6 13.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.41 110.293 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -73.68 -30.36 62.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 71.13 110.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 3.3 mt-30 -78.87 -39.0 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 72.15 110.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.831 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 1.6 mm -60.71 -21.44 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 63.12 109.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.79 -18.24 35.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 75.22 109.332 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 52.2 mt-10 -73.74 -61.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 73.34 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 33.4 m-85 -53.8 -22.12 8.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 65.34 110.964 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -54.72 -31.65 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.23 109.307 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.08 -35.35 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.54 110.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -71.05 -15.3 62.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 65.13 109.263 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 8.0 t80 -86.73 -35.1 19.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 73.13 110.965 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.25 -18.2 65.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 72.34 109.298 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.844 HD21 ' HG2' ' A' ' 461' ' ' LYS . 59.2 mt -51.16 -34.71 32.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 73.43 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.882 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 5.8 m-85 -115.69 -49.82 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 71.24 111.043 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.65 92.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 61.54 109.296 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.751 ' HE3' HG21 ' A' ' 34' ' ' THR . 20.1 mmtt -70.48 -67.3 0.51 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 123.64 1.686 . . . . 65.13 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.6 p30 -74.45 -7.88 54.44 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.898 -1.049 . . . . 74.13 109.962 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.74 61.18 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 71.21 109.283 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 13.1 p30 -94.09 -26.83 16.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 70.5 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 111.58 33.61 2.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 42.03 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.401 ' CB ' ' OE1' ' A' ' 62' ' ' GLN . 0.6 OUTLIER -168.91 111.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 63.22 110.012 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.593 HD13 ' HB2' ' A' ' 19' ' ' PHE . 90.4 mt -92.41 99.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 63.24 109.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 p -64.97 179.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.32 110.004 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -68.61 -34.16 75.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 74.22 110.024 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -30.15 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 75.44 110.025 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 34' ' ' THR . 51.8 mt-10 -82.55 -35.2 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 74.12 110.347 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.037 HD22 HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -73.31 -49.61 26.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 63.01 109.323 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.703 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -70.09 -12.84 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 71.24 109.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.751 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -68.73 -23.96 64.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 74.31 110.407 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 1.7 t -88.72 -56.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 63.05 109.32 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.624 ' CE ' HD13 ' A' ' 41' ' ' LEU . 70.7 mmm -37.26 -55.37 1.01 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 71.41 110.987 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' SER . 18.2 ptp180 -61.34 -42.46 98.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 75.2 110.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.3 m -54.77 -22.14 13.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 61.32 110.012 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.976 HD13 HG23 ' A' ' 465' ' ' ILE . 18.4 mt -90.81 -22.41 21.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 72.03 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.69 4.87 8.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 73.02 111.05 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.637 HD11 ' OG ' ' A' ' 469' ' ' SER . 29.0 mt -81.76 -176.35 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 75.31 109.334 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.457 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 34.3 p -162.61 61.17 1.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 63.13 110.029 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HA ' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.99 139.28 24.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 63.03 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.43 140.34 38.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 61.51 110.005 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 16.6 tt0 -53.73 -27.33 27.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 75.04 110.328 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.0 -49.2 75.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 73.04 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.79 ' CB ' HD21 ' A' ' 475' ' ' LEU . 2.7 mt-10 -74.07 -51.91 14.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 65.42 110.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.037 HG13 HD22 ' A' ' 32' ' ' LEU . 55.1 t -40.41 -29.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 51.25 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 47' ' ' GLU . 86.8 m-20 -73.33 -65.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 73.53 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -22.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 71.52 109.298 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.897 ' HB2' HD22 ' A' ' 475' ' ' LEU . 4.6 tt -80.52 -62.42 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 72.03 109.303 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.406 ' HB3' HD13 ' A' ' 32' ' ' LEU . 10.2 ptm -62.97 -13.75 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 61.11 110.958 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -90.74 -12.39 36.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 73.23 109.317 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.746 ' C ' HD13 ' A' ' 55' ' ' ILE . 5.4 mm-40 -82.47 -10.32 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.41 110.261 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.746 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.2 mm -117.74 -41.57 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 61.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 7.1 t0 -37.93 123.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.23 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.455 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 3.3 t -82.19 -36.13 13.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 CA-C-O 123.596 1.665 . . . . 61.52 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.505 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 54.3 p30 -97.08 -6.15 35.82 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.86 -1.067 . . . . 65.23 109.967 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.84 43.18 81.14 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.523 1.139 . . . . 73.41 110.997 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 29.1 p-10 -97.49 13.75 28.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.771 . . . . 72.4 109.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.635 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 12.5 t-80 67.63 38.21 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.04 109.609 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.422 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 34.2 mt-30 -154.3 158.45 40.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 74.53 110.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -116.24 123.73 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 72.25 109.318 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 5.7 mt-10 -91.75 166.49 12.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 54.21 110.34 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.831 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 1.8 t80 -64.66 -12.99 52.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 72.33 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.3 p -94.27 -43.13 8.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 71.45 110.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 20.3 mt-10 -67.75 -47.99 67.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 71.34 110.315 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.421 ' HE1' ' HB3' ' A' ' 15' ' ' ALA . 58.6 t80 -58.7 -42.11 87.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 72.04 111.035 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.662 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.68 -31.04 67.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 75.35 109.288 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -70.83 -19.97 62.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 63.41 109.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.853 HD21 ' SD ' ' A' ' 471' ' ' MET . 3.3 tp -69.57 -53.29 19.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 65.14 109.332 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.5 ' SD ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -60.29 -16.92 38.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.43 110.99 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -118.15 27.28 9.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 74.04 109.967 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 73.01 110.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.635 . . . . 74.0 109.284 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 pp -46.47 -30.68 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 70.25 109.309 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 11.4 mm-40 -73.77 -57.32 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 60.53 110.291 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 1.035 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -64.9 -13.02 55.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 55.24 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 16.3 t80 -83.95 -55.82 4.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 64.24 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 11.9 ptpt -67.34 -40.71 85.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 72.5 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.483 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 1.7 p -55.06 -47.78 76.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 71.2 109.29 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.836 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.4 m-85 -68.0 -37.83 81.92 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.639 1.685 . . . . 73.51 111.012 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.405 ' OD2' ' HA2' ' A' ' 96' ' ' GLY . 0.3 OUTLIER -76.15 102.61 5.82 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 117.953 -1.023 . . . . 75.34 109.969 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -32.37 19.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.22 109.322 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.45 -50.94 12.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 62.45 109.289 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.47 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 93.11 63.59 1.09 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 73.53 110.97 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.728 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -119.19 -6.13 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 74.01 109.273 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.14 7.81 67.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 60.2 111.028 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.814 HD23 ' HB3' ' A' ' 136' ' ' ASN . 1.1 mt -142.27 116.56 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 65.11 109.311 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.626 HD13 ' CB ' ' A' ' 92' ' ' PHE . 58.0 mt -78.75 105.82 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 73.41 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 p -70.03 -178.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 65.51 110.027 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.78 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -51.8 -71.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 63.11 109.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -41.1 -65.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 75.31 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' ALA . 75.2 mt-10 -38.34 -29.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 60.45 110.353 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.836 HD23 ' CG2' ' A' ' 121' ' ' VAL . 3.3 tp -93.46 -72.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 64.12 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.537 ' HB3' HG21 ' A' ' 121' ' ' VAL . 5.6 ptmt -48.51 -56.98 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 70.44 109.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.801 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.3 -37.6 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.24 109.581 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.836 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -71.92 -40.26 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 75.51 109.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 114' ' ' GLU . 1.9 mm? -67.12 -26.18 66.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 74.45 109.354 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.6 m -82.8 -17.16 45.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 65.02 110.357 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.754 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -76.72 -10.69 59.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 70.23 109.974 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.05 HG21 HD11 ' A' ' 465' ' ' ILE . 6.1 pt -112.44 -32.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 65.25 109.271 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.36 -33.73 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 61.35 110.958 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.517 ' CB ' HD12 ' A' ' 109' ' ' LEU . 10.4 mm-40 -62.63 106.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 71.14 110.269 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -106.73 93.21 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 75.53 109.357 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 120' ' ' GLU . 1.4 mp -102.39 142.52 33.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 72.41 109.32 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.2 p -75.15 155.68 36.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 73.53 110.374 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 33.3 t0 -53.65 -34.3 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 71.21 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.19 -24.13 51.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 62.02 109.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.686 ' HB3' HD23 ' A' ' 116' ' ' LEU . 51.5 mt-10 -76.73 -56.69 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 52.51 110.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.836 ' CG2' HD23 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -63.07 -50.4 79.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 24.12 109.289 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.51 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 12.8 t0 -47.07 -25.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 65.32 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 121' ' ' VAL . 3.4 t0 -90.65 -35.99 14.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 72.35 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 121' ' ' VAL . 36.7 ttm -62.73 -36.11 81.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 74.23 110.991 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.658 HD13 ' O ' ' A' ' 133' ' ' GLY . 10.1 mt -62.12 -52.66 62.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 71.54 109.261 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 125' ' ' LEU . 37.5 mtt180 -37.11 -30.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.45 110.329 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 27.0 mm-40 -46.42 -50.39 16.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 73.33 110.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.539 HG11 ' CB ' ' A' ' 142' ' ' ALA . 19.9 m -132.32 14.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.24 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.0 p -100.48 11.29 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 75.33 109.992 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 129' ' ' SER . 25.9 t0 39.2 45.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 73.33 109.257 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.91 46.75 75.66 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.492 1.12 . . . . 45.45 110.984 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' SER . 41.5 t -106.83 -77.39 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 0.795 . . . . 65.51 110.002 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.658 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 149.9 -17.58 1.08 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.518 1.136 . . . . 52.33 111.041 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 19.6 mt-10 -129.84 156.22 44.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 72.22 110.334 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.784 HD11 HD13 ' A' ' 105' ' ' LEU . 3.0 pt -128.82 123.04 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 74.11 109.332 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.814 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -91.99 175.17 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 60.14 109.307 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.52 ' HB ' ' CE2' ' A' ' 89' ' ' PHE . 5.7 tp -46.48 -25.0 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 62.24 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 7.5 mm100 -81.92 -58.47 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 73.02 110.284 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.577 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 50.3 mt-30 -64.6 -57.42 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 74.32 110.276 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' A' ' 144' ' ' LEU . 20.8 t80 -44.52 -44.48 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 74.23 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.551 ' CB ' HD21 ' A' ' 85' ' ' LEU . . . -56.98 -35.71 69.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 41.42 109.262 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -49.29 -48.0 46.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.02 109.26 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.2 mt -59.71 -45.3 92.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 74.1 109.333 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 85' ' ' LEU . 4.7 mt -72.05 -6.15 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 43.04 109.29 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 74.13 110.004 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 42.6 mmt-85 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.3 -0.259 . . . . 71.12 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -60.61 -16.66 40.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 71.4 109.311 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.84 -18.25 24.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 72.11 109.319 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 458' ' ' LEU . 0.4 OUTLIER -73.16 -47.62 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 53.01 109.282 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -73.94 -34.68 64.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 75.53 110.291 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.597 ' HA ' HD12 ' A' ' 463' ' ' LEU . 9.1 t30 -58.42 -35.89 72.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 62.22 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.844 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -58.77 -27.13 64.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 71.14 109.33 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.657 HG23 ' HE1' ' A' ' 92' ' ' PHE . 27.1 mt -89.57 -35.45 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 74.23 109.302 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 460' ' ' ASN . 96.8 mt -47.35 -48.11 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 75.32 109.308 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.564 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -70.23 -56.3 7.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 61.51 109.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.05 HD11 HG21 ' A' ' 112' ' ' ILE . 10.3 mt -45.16 -26.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 75.32 109.341 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 1.035 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.02 -72.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 62.54 109.275 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.482 ' CE ' ' HA ' ' A' ' 72' ' ' MET . 4.2 mtpp -46.83 -59.96 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 65.4 109.303 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.882 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 98.4 t -42.47 -30.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 74.23 109.336 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.637 ' OG ' HD11 ' A' ' 41' ' ' LEU . 7.4 t -82.95 -67.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 53.41 110.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.455 ' HD3' HG23 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -40.64 -29.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.13 110.289 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.853 ' SD ' HD21 ' A' ' 71' ' ' LEU . 30.6 mtp -57.96 -47.06 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 63.41 111.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.609 ' CZ ' ' HA ' ' A' ' 43' ' ' PRO . 46.6 t80 -58.71 -25.37 62.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 74.33 110.985 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 52.7 m -80.33 -15.09 57.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 74.11 109.995 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.455 HG23 ' HD3' ' A' ' 470' ' ' ARG . 58.5 t -96.71 -52.38 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 72.13 109.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.897 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -38.49 -34.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 74.42 109.322 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 73.21 110.269 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.446 HG23 ' OE1' ' A' ' 8' ' ' GLN . 4.9 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.411 -0.218 . . . . 74.55 110.411 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -53.83 -31.86 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.35 110.294 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -66.51 -27.25 67.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 74.32 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.446 ' OE1' HG23 ' A' ' 5' ' ' THR . 2.7 mt-30 -83.41 -39.77 20.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 73.32 110.288 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.986 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -60.99 -30.19 47.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 74.41 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -16.66 63.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 65.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 67.8 mt-10 -74.4 -68.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 75.13 110.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 72' ' ' MET . 43.5 m-85 -51.51 -20.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 74.12 110.967 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -50.81 -44.32 59.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 75.02 109.317 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -69.92 -53.54 17.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 60.04 110.318 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.969 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -50.91 -23.02 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 75.25 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CZ ' ' C ' ' A' ' 64' ' ' GLU . 9.2 t80 -78.58 -34.04 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 71.01 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.37 -16.54 64.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 73.44 109.271 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.767 HD21 ' HG3' ' A' ' 461' ' ' LYS . 36.7 mt -56.85 -37.51 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 60.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.657 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 38.4 m-85 -107.75 -45.9 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 73.22 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.501 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -58.12 86.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 73.41 109.296 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.569 ' HE3' HG21 ' A' ' 34' ' ' THR . 39.5 mmtt -58.55 -67.56 0.35 Allowed 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 123.627 1.68 . . . . 60.22 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -79.09 -21.28 46.93 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.903 -1.046 . . . . 75.0 109.991 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 22' ' ' ASP . 1.1 m-80 71.81 57.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 72.14 109.327 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 21.6 p30 -93.24 -13.24 28.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 72.12 109.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.439 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 96.59 35.84 5.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 71.12 110.98 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.404 ' CB ' ' HB3' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -169.08 113.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 73.55 110.054 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 26.5 mt -95.97 98.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 62.23 109.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.23 162.86 24.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 63.15 109.978 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.43 ' CB ' HG12 ' A' ' 48' ' ' VAL . 2.7 t -57.66 -16.96 12.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 75.45 110.033 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -25.24 29.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 71.42 110.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.724 ' O ' HG22 ' A' ' 34' ' ' THR . 38.1 mt-10 -90.53 -40.19 12.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 74.11 110.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.989 HD22 HG13 ' A' ' 48' ' ' VAL . 1.1 tt -62.97 -49.82 73.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 70.2 109.314 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.583 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -67.83 -12.63 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 65.34 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -71.82 -29.26 64.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 54.12 110.394 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.559 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.2 t -89.23 -61.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 72.42 109.298 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.721 ' HE2' HD13 ' A' ' 41' ' ' LEU . 69.8 mtp -37.85 -52.74 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 74.11 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' SER . 5.2 ptm180 -62.38 -40.61 97.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 73.32 110.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' VAL . 15.5 m -60.83 -29.07 69.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 62.42 109.992 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.021 HD13 HG23 ' A' ' 465' ' ' ILE . 14.5 mt -76.32 -21.47 56.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 72.33 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.24 1.54 8.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 61.34 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.721 HD13 ' HE2' ' A' ' 36' ' ' MET . 16.1 mt -81.25 -174.0 4.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 71.32 109.29 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 3.6 t -164.2 61.3 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 63.32 109.982 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.97 142.4 27.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 72.1 111.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m -87.45 140.43 29.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 74.33 109.947 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 17.5 tt0 -48.13 -28.12 2.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 75.42 110.291 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.67 -49.48 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 64.14 109.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.15 -51.34 12.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 64.53 110.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.989 HG13 HD22 ' A' ' 32' ' ' LEU . 54.7 t -40.48 -34.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 72.52 109.26 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 89.1 m-20 -66.77 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 71.2 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -56.37 -17.82 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 64.55 109.301 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.847 HD11 ' HE2' ' A' ' 471' ' ' MET . 1.6 tm? -76.62 -56.41 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 74.45 109.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 ptp -75.9 -14.23 60.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 52.23 111.002 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -83.93 -8.06 59.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 72.02 109.282 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.985 ' C ' HD13 ' A' ' 55' ' ' ILE . 7.8 mt-10 -93.36 -6.75 46.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 65.04 110.288 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.985 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -117.1 -48.16 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 72.41 109.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 2.1 t0 -39.87 120.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 64.42 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 67' ' ' GLU . 49.8 t -88.58 -12.52 10.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 CA-C-O 123.616 1.674 . . . . 33.53 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 47.0 p-10 -117.71 -8.02 10.93 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.887 -1.054 . . . . 63.24 109.97 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.486 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 60.89 39.47 96.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 70.3 110.989 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.435 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 31.3 p-10 -91.64 24.55 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 72.12 109.291 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.546 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 28.2 t-80 48.07 37.16 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 71.43 109.572 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 40.4 mt-30 -159.51 149.94 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 71.21 110.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.85 127.03 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 61.44 109.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.524 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 9.6 mt-10 -92.75 178.86 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 74.43 110.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.986 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.6 t80 -77.38 -13.29 59.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 63.15 110.999 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.4 p -91.99 -44.22 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 62.33 109.979 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HG2' HG23 ' A' ' 57' ' ' VAL . 29.3 mt-10 -68.09 -55.75 11.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 61.31 110.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -49.42 -48.52 47.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 73.13 110.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -67.41 -32.95 74.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 72.23 109.297 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.45 -15.52 63.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 74.34 109.3 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.67 HD12 HD12 ' A' ' 55' ' ' ILE . 3.5 tt -79.65 -54.49 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 63.24 109.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 72' ' ' MET . 0.7 OUTLIER -52.96 -26.16 14.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 74.15 110.966 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -107.27 30.75 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 64.41 110.047 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 75.23 110.273 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.786 HD21 ' HA ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.329 -0.619 . . . . 71.5 109.329 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -46.78 -28.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 72.14 109.3 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 6.7 mm-40 -73.66 -49.99 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 74.24 110.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.822 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -74.17 -12.79 60.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 34.53 109.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 85' ' ' LEU . 13.6 t80 -71.69 -49.64 37.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 65.42 110.975 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -77.43 -33.94 54.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 71.3 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -57.0 -49.19 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 61.33 109.337 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.898 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.6 m-85 -66.37 -38.24 87.12 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 123.625 1.678 . . . . 74.34 111.04 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.32 99.59 2.45 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 117.899 -1.048 . . . . 52.32 109.985 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -85.53 -32.95 21.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 75.45 109.287 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.23 -46.42 28.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 70.43 109.3 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.03 77.24 1.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.495 1.122 . . . . 65.01 111.012 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.729 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -140.17 10.87 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 74.33 109.271 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.863 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 68.95 20.57 74.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 64.44 110.989 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.0 mt -149.9 110.64 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 72.54 109.31 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.57 HD13 ' CB ' ' A' ' 92' ' ' PHE . 63.8 mt -76.21 103.82 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 73.21 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.2 p -72.29 176.96 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 51.42 109.979 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -46.32 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 51.13 109.261 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -40.76 -66.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 74.01 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 103' ' ' ALA . 41.3 mt-10 -38.26 -29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 53.42 110.286 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.754 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.4 OUTLIER -93.44 -72.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 74.31 109.249 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.643 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -47.62 -56.49 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 64.32 109.313 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.767 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -47.01 -40.32 14.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 64.12 109.634 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.898 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -68.48 -46.77 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 61.5 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 116' ' ' LEU . 1.2 mt -60.61 -28.71 68.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 52.31 109.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 10.6 m -81.99 -9.36 59.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 73.41 110.373 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.724 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -83.65 -12.47 55.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 72.35 109.952 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.02 HG21 HD11 ' A' ' 465' ' ' ILE . 5.4 pt -97.74 -32.11 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 75.11 109.278 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 143.42 -37.11 1.5 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 54.21 111.022 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.475 ' CG ' ' HB3' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -58.25 174.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 74.31 110.312 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 1.7 pttp -151.83 128.7 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 54.54 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 109' ' ' LEU . 8.2 mt -126.22 128.89 47.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 74.35 109.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.4 p -73.67 163.85 27.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 63.33 110.362 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 3.9 m-20 -54.07 -44.69 71.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 72.23 109.287 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.19 -21.29 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 70.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.606 ' HB3' HD22 ' A' ' 116' ' ' LEU . 8.4 mm-40 -81.29 -64.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 73.43 110.341 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.643 HG21 ' HB3' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -57.65 -50.62 76.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 74.02 109.307 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.518 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 14.7 t70 -54.8 -25.15 26.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 71.42 109.241 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.28 -25.45 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.34 109.305 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.576 ' HE1' HD11 ' A' ' 458' ' ' LEU . 38.0 ttm -72.23 -38.38 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 73.33 111.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 129' ' ' SER . 9.8 mt -65.14 -57.0 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 74.01 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 125' ' ' LEU . 34.5 mtt-85 -38.02 -29.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 75.21 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.7 mm-40 -48.26 -50.85 28.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.21 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.547 HG11 ' CB ' ' A' ' 142' ' ' ALA . 19.8 m -132.1 15.66 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 65.11 109.317 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 125' ' ' LEU . 38.3 p -105.45 4.88 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 75.22 109.982 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' SER . 26.4 t70 37.32 51.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 75.34 109.338 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 47.56 47.71 23.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 70.42 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' SER . 47.7 t -96.44 -69.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 50.51 109.982 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.43 -12.91 1.81 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 72.32 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -148.06 169.39 20.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 63.42 110.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.754 HD11 ' CD1' ' A' ' 105' ' ' LEU . 5.9 pt -137.6 130.52 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 73.31 109.353 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.461 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -99.32 -179.85 4.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 72.35 109.246 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.527 HG23 ' OE1' ' A' ' 138' ' ' GLN . 5.7 tp -49.69 -22.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 55.14 109.278 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.527 ' OE1' HG23 ' A' ' 137' ' ' ILE . 6.6 mm100 -82.88 -56.03 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 71.53 110.314 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.656 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 56.8 mt-30 -68.52 -58.69 3.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 63.42 110.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 136' ' ' ASN . 12.5 t80 -43.3 -49.68 6.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 70.25 110.97 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.786 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -55.24 -35.28 64.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 72.5 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -52.53 -38.53 59.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 41.34 109.315 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 135' ' ' ILE . 55.2 mt -57.6 -54.2 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 74.02 109.325 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.747 ' N ' HD23 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -62.57 -13.55 32.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 71.11 109.27 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 73.43 109.973 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.329 -0.248 . . . . 73.32 110.329 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.43 ' NZ ' ' OE2' ' A' ' 11' ' ' GLU . 4.9 ptmm? -74.49 -21.57 59.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 73.11 109.255 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -87.56 -19.71 27.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 71.33 109.247 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.576 HD11 ' HE1' ' A' ' 124' ' ' MET . 0.2 OUTLIER -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 61.32 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -60.73 -30.22 69.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 72.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.608 ' HA ' HD12 ' A' ' 463' ' ' LEU . 11.1 t30 -61.82 -37.33 84.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 74.44 109.324 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.78 ' O ' HD12 ' A' ' 465' ' ' ILE . 0.0 OUTLIER -51.6 -28.99 15.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 55.04 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.764 HG23 ' CE1' ' A' ' 92' ' ' PHE . 13.5 mt -89.28 -39.66 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.14 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 460' ' ' ASN . 94.8 mt -44.95 -44.51 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 62.22 109.349 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.969 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -70.4 -55.76 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 72.31 109.33 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.021 HG23 HD13 ' A' ' 39' ' ' LEU . 15.2 mt -48.29 -24.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 54.15 109.316 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.822 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -86.02 -69.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 63.25 109.262 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 468' ' ' VAL . 17.9 mttt -43.95 -66.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.14 109.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 464' ' ' ALA . 6.3 m -39.28 -33.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 63.55 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 466' ' ' ALA . 1.1 t -69.61 -56.42 7.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 64.34 109.978 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.471 ' CD ' ' HB ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -54.08 -40.56 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 75.14 110.262 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.847 ' HE2' HD11 ' A' ' 51' ' ' LEU . 44.3 mtp -48.32 -29.12 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 65.51 110.958 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.58 ' HB2' ' HE3' ' A' ' 36' ' ' MET . 46.6 t80 -89.03 -23.16 22.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 72.43 110.999 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 470' ' ' ARG . 1.0 OUTLIER -92.01 -2.33 56.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 70.15 109.978 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.471 ' HB ' ' CD ' ' A' ' 470' ' ' ARG . 13.0 p -109.51 -47.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 63.3 109.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.49 -34.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 65.12 109.283 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 75.05 110.307 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.2 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.412 -0.218 . . . . 63.13 110.412 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -40.97 -39.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 75.34 110.264 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -68.11 -44.56 75.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 62.1 110.278 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' THR . 27.5 mm100 -56.88 -33.62 67.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 74.33 110.347 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 9' ' ' ILE . 1.9 mm -65.72 -22.09 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.21 109.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.18 -13.32 53.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 72.44 109.325 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 23.2 mt-10 -79.19 -62.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.22 110.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -53.98 -23.66 14.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 65.25 110.99 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.9 mttt -54.44 -41.35 69.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 74.11 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 17' ' ' ALA . 18.8 mm-40 -71.44 -55.88 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 73.41 110.304 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.766 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -50.56 -23.02 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 64.15 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.603 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 12.2 t80 -79.7 -33.11 41.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 63.14 110.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -67.33 -20.7 65.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 72.13 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.743 HD21 ' HG3' ' A' ' 461' ' ' LYS . 43.2 mt -50.73 -37.77 43.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 75.35 109.281 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.648 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 14.1 m-85 -107.61 -52.25 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 74.31 111.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.603 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -47.04 94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 71.3 109.315 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.793 ' HE3' HG21 ' A' ' 34' ' ' THR . 9.2 mmtp -69.84 -66.84 0.54 Allowed 'General case' 0 C--O 1.215 -0.75 0 CA-C-O 123.643 1.687 . . . . 51.11 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.92 -10.13 59.72 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.908 -1.044 . . . . 73.12 109.984 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m120 59.66 59.84 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 60.02 109.292 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -99.58 -17.06 18.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 72.43 109.314 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 97.57 39.8 3.82 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 60.55 110.998 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.69 111.75 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.781 . . . . 71.31 109.999 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' ' 19' ' ' PHE . 63.0 mt -97.41 97.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 72.33 109.316 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -66.32 163.09 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 64.13 109.978 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.468 ' O ' HG11 ' A' ' 48' ' ' VAL . 1.4 t -56.15 -18.0 8.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 63.11 109.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -24.29 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 63.03 110.004 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' A' ' 34' ' ' THR . 58.7 mt-10 -90.54 -28.65 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.42 110.349 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.106 HD22 HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -77.23 -47.46 20.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 74.11 109.275 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.702 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -68.19 -12.47 61.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 40.25 109.347 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.793 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.32 -25.35 63.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 73.14 110.435 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.574 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.0 t -91.35 -62.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 65.1 109.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.553 ' HE1' ' HB2' ' A' ' 472' ' ' PHE . 90.1 mtp -38.38 -50.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 64.03 110.979 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' A' ' 38' ' ' SER . 7.9 ptm180 -66.65 -39.18 88.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 62.42 110.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' VAL . 15.4 m -58.89 -24.56 62.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 70.21 110.006 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.031 HD13 HG23 ' A' ' 465' ' ' ILE . 16.0 mt -82.42 -19.69 38.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 63.44 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.99 2.93 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.145 . . . . 62.24 110.987 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.435 HD12 ' CA ' ' A' ' 36' ' ' MET . 15.5 mt -80.93 -176.19 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 73.25 109.255 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.455 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 70.7 m -162.44 61.43 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 73.32 110.016 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.0 145.25 31.19 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 44.23 111.022 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -90.56 140.46 29.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 41.13 109.976 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.3 tt0 -45.08 -28.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 73.11 110.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.58 -49.03 76.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 45.12 109.296 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HB3' HD21 ' A' ' 475' ' ' LEU . 0.7 OUTLIER -76.76 -51.35 11.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 72.41 110.271 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.106 HG13 HD22 ' A' ' 32' ' ' LEU . 54.4 t -40.35 -38.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 64.33 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 91.1 m-20 -63.47 -63.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 71.22 109.288 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -57.4 -17.31 12.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 72.53 109.281 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.649 HD11 ' HE3' ' A' ' 471' ' ' MET . 0.2 OUTLIER -78.41 -51.59 9.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 72.14 109.312 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.556 ' HB3' HD13 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -80.99 -11.68 59.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 74.2 110.943 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.7 m120 -88.13 -7.62 56.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 60.15 109.28 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.562 ' O ' HD13 ' A' ' 55' ' ' ILE . 2.4 mm-40 -90.69 -7.43 52.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 72.43 110.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.86 HD12 HD13 ' A' ' 71' ' ' LEU . 5.0 mm -117.72 -48.01 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 74.25 109.272 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 1.2 t0 -39.08 114.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 72.35 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 67' ' ' GLU . 46.9 t -78.79 -7.05 10.09 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 CA-C-O 123.639 1.685 . . . . 63.34 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -123.64 -21.2 5.29 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 117.909 -1.043 . . . . 75.54 110.009 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.28 52.81 24.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 53.13 110.981 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 34.9 p-10 -100.97 13.03 36.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 53.24 109.274 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 35.5 t-80 66.07 28.4 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 73.05 109.576 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 44.1 mt-30 -156.69 147.96 22.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 75.44 110.291 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.8 129.1 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.01 109.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.426 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -95.3 173.06 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 62.25 110.318 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.556 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.9 t80 -71.0 -12.98 61.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 75.35 110.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 t -92.3 -41.41 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 72.41 110.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.504 ' HG2' HG23 ' A' ' 57' ' ' VAL . 29.7 mt-10 -70.85 -48.76 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 73.55 110.328 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -57.13 -41.44 79.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 73.14 110.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.765 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -72.59 -33.19 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 61.42 109.326 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.46 -15.94 60.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.44 109.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.86 HD13 HD12 ' A' ' 55' ' ' ILE . 18.5 tp -72.56 -51.17 20.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 73.24 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.429 ' CE ' ' CD ' ' A' ' 467' ' ' LYS . 3.3 mmt -55.38 -32.42 62.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 72.14 111.004 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 t -89.78 18.4 5.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 62.21 109.971 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.32 110.344 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.804 ' HB3' HD11 ' A' ' 137' ' ' ILE . 7.0 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.304 -0.628 . . . . 62.02 109.304 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 87' ' ' GLU . 2.5 pp -57.58 -46.99 83.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 73.54 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.558 ' N ' HD12 ' A' ' 86' ' ' LEU . 31.0 mm-40 -52.6 -44.05 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 74.4 110.279 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -80.7 -23.71 39.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 65.14 109.306 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.475 ' HA ' HD11 ' A' ' 100' ' ' ILE . 9.1 t80 -67.46 -64.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 72.14 111.012 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -60.54 -34.55 74.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 71.44 109.326 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.3 t -58.24 -56.44 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 74.44 109.297 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.847 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.5 m-85 -63.75 -43.01 97.71 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.638 1.685 . . . . 64.31 111.044 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.63 98.8 1.97 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.953 -1.022 . . . . 74.12 109.949 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -30.02 21.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 72.25 109.301 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -78.23 -43.51 28.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 72.24 109.292 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.44 78.88 1.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 73.31 110.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.636 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.41 11.11 2.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 61.44 109.313 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.845 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.15 17.74 72.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.445 1.091 . . . . 74.22 110.963 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.4 mt -149.57 112.68 4.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 0.78 . . . . 74.24 109.339 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.64 HD13 ' CB ' ' A' ' 92' ' ' PHE . 61.9 mt -79.24 105.33 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 74.14 109.277 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.6 t -70.06 -176.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 62.14 109.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.657 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -54.78 -67.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 63.14 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -42.08 -65.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 51.31 109.259 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' ALA . 36.7 mt-10 -38.78 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 70.24 110.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.735 HD21 ' SD ' ' A' ' 124' ' ' MET . 2.7 tp -90.46 -72.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 61.32 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.873 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -46.23 -59.31 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 70.53 109.298 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.81 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.26 -38.27 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 63.44 109.576 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.847 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -73.36 -38.85 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 54.25 109.248 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.586 HD23 HG12 ' A' ' 108' ' ' VAL . 1.9 mt -67.38 -25.26 65.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 63.42 109.341 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 m -86.6 -10.42 53.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 63.1 110.404 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.777 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -84.67 -1.67 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 71.33 109.992 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.075 HG21 HD11 ' A' ' 465' ' ' ILE . 8.3 pt -112.53 -32.91 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 71.53 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.36 -32.25 1.38 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 50.4 111.006 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.598 ' HG3' ' HZ3' ' A' ' 461' ' ' LYS . 11.2 mm-40 -56.62 173.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 64.23 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -159.36 116.13 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 72.11 109.313 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.696 HD13 ' HE3' ' A' ' 124' ' ' MET . 41.8 mt -127.68 137.51 52.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 63.12 109.3 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 120' ' ' GLU . 25.2 p -69.58 151.31 46.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 75.32 110.396 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -51.59 -23.67 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 72.51 109.319 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.32 -31.3 21.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 61.55 109.283 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.518 ' HB3' HD22 ' A' ' 116' ' ' LEU . 12.9 mm-40 -75.15 -28.5 60.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 75.54 110.258 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.953 ' O ' HD22 ' A' ' 125' ' ' LEU . 9.2 p -84.81 -53.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 64.24 109.291 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.541 ' N ' HG13 ' A' ' 121' ' ' VAL . 7.4 t0 -49.47 -22.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 71.22 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 121' ' ' VAL . 4.1 t70 -90.86 -32.51 16.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 64.32 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.735 ' SD ' HD21 ' A' ' 105' ' ' LEU . 27.9 ttm -60.64 -33.39 72.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 75.24 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.953 HD22 ' O ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -69.33 -53.8 17.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 73.14 109.323 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 125' ' ' LEU . 17.2 mtt180 -35.18 -33.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 71.42 110.274 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.9 mm-40 -41.99 -50.73 4.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 64.12 110.276 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.519 HG11 ' CB ' ' A' ' 142' ' ' ALA . 34.2 m -132.79 10.51 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 65.45 109.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.2 p -95.34 10.99 34.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 64.34 110.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.0 t70 45.74 39.14 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 71.51 109.264 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.2 35.05 91.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 74.55 110.975 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' SER . 89.9 p -95.06 -80.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 72.25 110.002 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.56 -22.14 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 42.25 111.0 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 25.5 mt-10 -117.85 176.66 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 75.12 110.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.556 HD11 HD13 ' A' ' 105' ' ' LEU . 2.5 pt -149.91 121.73 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.55 109.344 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.556 ' OD1' ' NE2' ' A' ' 139' ' ' GLN . 0.2 OUTLIER -87.46 174.81 8.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 73.24 109.304 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.804 HD11 ' HB3' ' A' ' 85' ' ' LEU . 5.3 tp -47.42 -24.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.11 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.42 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 6.5 mm100 -83.95 -57.66 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 71.35 110.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.695 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 56.4 mt-30 -62.77 -56.07 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 73.33 110.276 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.436 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 38.4 t80 -43.1 -48.91 6.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 63.33 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.409 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -61.96 -32.79 73.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 73.22 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -48.84 -44.35 39.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 54.01 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -41.51 80.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 75.32 109.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.57 ' N ' HD23 ' A' ' 144' ' ' LEU . 3.2 mt -70.58 -20.67 62.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 73.33 109.302 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 142' ' ' ALA . 3.5 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 72.52 109.967 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.276 -0.268 . . . . 65.45 110.276 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.441 ' HA ' ' NH2' ' A' ' 459' ' ' ARG . 0.2 OUTLIER -57.81 -26.36 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 70.45 109.337 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -85.47 -19.98 30.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 70.43 109.289 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -52.8 58.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.44 109.3 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.441 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 2.4 ptp85 -66.77 -25.81 66.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 71.5 110.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.782 ' HA ' HD22 ' A' ' 463' ' ' LEU . 14.8 t30 -67.83 -29.9 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 51.21 109.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.743 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -56.45 -27.0 55.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 64.12 109.287 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.702 HG23 ' CE1' ' A' ' 92' ' ' PHE . 8.6 mt -88.77 -32.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.5 109.258 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.782 HD22 ' HA ' ' A' ' 460' ' ' ASN . 1.0 OUTLIER -49.94 -43.53 50.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 73.13 109.309 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.766 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -70.33 -61.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 75.23 109.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.075 HD11 HG21 ' A' ' 112' ' ' ILE . 22.9 mt -47.92 -24.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 63.22 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -83.24 -71.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.092 . . . . 75.51 109.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 470' ' ' ARG . 16.8 mttp -51.85 -63.05 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 73.05 109.308 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.648 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 58.4 t -38.75 -44.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 44.41 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 16.8 t -66.69 -46.88 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 75.12 110.035 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.5 tmt_? -55.2 -43.79 74.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.22 110.288 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.649 ' HE3' HD11 ' A' ' 51' ' ' LEU . 5.0 mtm -46.8 -23.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 74.43 111.005 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 7.2 t80 -88.51 -30.45 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 55.32 110.993 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 470' ' ' ARG . 3.6 t -85.15 -2.32 57.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 52.32 110.017 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 471' ' ' MET . 10.8 p -111.05 -48.89 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 74.14 109.317 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.1 OUTLIER -40.45 -36.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 73.45 109.308 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 70.3 110.289 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.424 -0.213 . . . . 62.34 110.424 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -52.13 -33.65 40.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 73.12 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.72 -27.19 63.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 65.23 110.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -75.4 -39.28 59.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.03 110.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.163 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.7 mm -63.75 -21.33 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 73.44 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.29 -12.61 60.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 64.12 109.257 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 5.8 mm-40 -84.53 -70.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 53.02 110.315 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -40.67 -28.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 74.11 111.01 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mttt -47.37 -48.53 25.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 63.32 109.324 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -58.04 -37.07 73.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 75.44 110.321 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.649 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -72.47 -15.44 61.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 70.22 109.272 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.9 t80 -82.54 -37.05 25.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 72.42 111.014 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -21.02 66.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 75.21 109.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.899 HD21 ' HG3' ' A' ' 461' ' ' LYS . 54.1 mt -49.09 -42.67 39.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 75.43 109.32 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' HZ ' HG11 ' A' ' 468' ' ' VAL . 18.6 m-85 -106.5 -51.44 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 72.4 111.025 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.582 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.78 92.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 64.32 109.272 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.605 ' HE3' HG21 ' A' ' 34' ' ' THR . 41.3 mmtt -70.52 -65.06 0.78 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.633 1.682 . . . . 72.2 109.316 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -75.91 -6.17 49.58 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 117.905 -1.045 . . . . 71.22 109.962 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 49.24 56.91 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 73.4 109.294 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 17.0 p-10 -90.06 -20.93 22.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 65.44 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.14 30.34 3.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 73.1 111.025 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.77 111.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 74.5 110.002 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 47.4 mt -86.56 107.81 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 75.25 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 p -67.37 172.34 5.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 72.13 109.999 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.445 ' O ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -72.53 -34.24 67.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 64.35 110.03 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -20.44 61.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 71.3 109.996 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.655 ' O ' HG22 ' A' ' 34' ' ' THR . 46.3 mt-10 -90.71 -46.33 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 75.02 110.276 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.01 HD22 HG13 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -59.26 -41.87 89.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.25 109.345 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.637 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -72.59 -12.32 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 70.5 109.336 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -70.35 -30.45 67.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 74.13 110.384 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.54 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -87.62 -55.89 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 73.44 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.542 ' HE3' ' HB2' ' A' ' 472' ' ' PHE . 68.2 mtp -38.73 -56.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 75.22 111.004 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 5.3 ptp180 -62.82 -35.12 78.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 61.24 110.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -55.85 -36.79 67.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 52.15 110.035 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.958 HD13 HG23 ' A' ' 465' ' ' ILE . 11.6 mt -71.63 -19.12 62.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 53.54 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.34 5.8 9.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.548 1.155 . . . . 64.01 110.968 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.401 HD11 ' OG ' ' A' ' 469' ' ' SER . 17.0 mt -81.53 -174.48 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 73.44 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.462 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 20.1 t -163.32 61.41 1.03 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 51.33 110.036 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.556 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.99 147.91 34.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 62.02 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -91.91 140.46 29.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 61.4 110.025 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.3 tt0 -46.22 -28.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 75.13 110.274 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.83 77.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 65.11 109.292 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' HB3' HD21 ' A' ' 475' ' ' LEU . 2.5 mm-40 -75.2 -51.36 13.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 54.2 110.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.01 HG13 HD22 ' A' ' 32' ' ' LEU . 51.8 t -40.59 -39.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 70.14 109.298 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 93.0 m-20 -65.02 -61.36 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 70.54 109.312 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -15.14 11.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 73.02 109.26 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -78.22 -55.94 4.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 75.53 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.543 ' CB ' HD11 ' A' ' 63' ' ' ILE . 8.0 ptm -77.75 -14.59 59.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 74.12 111.032 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 2.1 m120 -82.55 -9.81 59.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 73.44 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.485 ' C ' HD13 ' A' ' 55' ' ' ILE . 47.3 mt-10 -85.7 -12.84 50.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 72.35 110.3 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.875 HG21 ' HB2' ' A' ' 71' ' ' LEU . 1.9 mm -117.52 -38.25 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 64.12 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.2 t0 -37.37 114.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 72.23 109.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 89.5 t -90.27 -17.32 8.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 123.642 1.687 . . . . 44.23 109.364 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 47.4 p-10 -109.57 -6.17 15.47 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.892 -1.051 . . . . 60.13 109.965 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.69 42.41 77.63 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 73.14 111.045 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.405 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 39.9 p-10 -97.25 12.37 33.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 71.44 109.327 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.67 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 7.0 t-80 64.97 30.65 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 71.23 109.648 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.45 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 38.9 mt-30 -150.48 -177.77 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 74.31 110.322 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.543 HD11 ' CB ' ' A' ' 52' ' ' MET . 0.3 OUTLIER -130.14 126.45 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 72.02 109.326 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.07 175.29 6.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 75.25 110.319 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 1.163 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 4.6 t80 -75.93 -10.57 59.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.04 111.033 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.533 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 58.7 m -95.16 -28.75 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 74.33 109.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 11.1 mt-10 -87.82 -48.62 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 62.23 110.259 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -59.05 -43.06 91.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 72.31 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.1 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -70.16 -24.64 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 63.14 109.338 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.1 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -86.13 -15.38 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 65.25 109.339 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.974 HD21 ' SD ' ' A' ' 471' ' ' MET . 8.9 tp -71.31 -50.09 36.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 62.32 109.277 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -56.55 -16.76 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 70.4 110.993 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -100.98 -16.39 17.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 65.23 109.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.34 110.313 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.058 HD22 HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.319 -0.623 . . . . 75.43 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.69 -35.46 74.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 64.22 109.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.524 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 28.3 mm-40 -66.56 -36.54 82.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 72.13 110.33 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.903 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -90.18 -12.87 36.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 65.11 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' LEU . 16.6 t80 -75.69 -63.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 75.24 110.988 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -10.0 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.22 109.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 1.8 t -84.0 -47.28 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 72.14 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.796 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.9 m-85 -73.93 -38.51 64.26 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.596 1.665 . . . . 74.43 111.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.12 102.18 4.83 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.928 -1.034 . . . . 72.41 110.0 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.08 -32.83 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 75.23 109.269 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.99 -44.51 30.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 72.52 109.288 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.58 75.92 1.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 74.45 111.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.64 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -130.63 4.69 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 71.12 109.297 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 136' ' ' ASN . . . 81.11 6.09 89.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 61.05 110.96 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.792 HD23 ' HB3' ' A' ' 136' ' ' ASN . 1.4 mt -142.31 121.32 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 45.4 109.277 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.596 HD13 ' CB ' ' A' ' 92' ' ' PHE . 53.9 mt -83.71 107.09 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 41.12 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.4 t -70.13 174.29 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 71.31 110.023 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.557 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -50.91 -66.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 75.15 109.256 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.469 ' C ' ' N ' ' A' ' 105' ' ' LEU . . . -43.77 -64.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 75.24 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 100' ' ' ILE . 79.3 mt-10 -41.03 -25.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 75.21 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.74 ' CD1' HD11 ' A' ' 135' ' ' ILE . 1.0 OUTLIER -94.46 -73.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 75.12 109.325 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.49 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -42.69 -56.45 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 71.3 109.323 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.783 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -48.63 -36.66 16.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 72.42 109.595 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.796 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -73.04 -42.11 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 64.42 109.252 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.577 HD23 HD23 ' A' ' 105' ' ' LEU . 1.1 mm? -61.07 -34.91 75.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 65.55 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -76.16 -30.37 58.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 73.45 110.371 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -14.24 29.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 63.11 109.974 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.812 HG21 HD11 ' A' ' 465' ' ' ILE . 16.7 pt -110.63 -33.15 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 75.14 109.323 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.22 -39.16 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.455 1.097 . . . . 75.52 111.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.472 ' CB ' HD12 ' A' ' 109' ' ' LEU . 20.9 mm-40 -50.28 114.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 64.21 110.318 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -113.28 97.99 6.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 72.4 109.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 120' ' ' GLU . 5.5 mp -113.13 142.69 45.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 74.43 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLU . 20.9 p -70.85 148.24 48.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 62.33 110.388 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -43.84 -29.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 64.04 109.318 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 117' ' ' THR . . . -80.25 -46.73 15.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 55.31 109.26 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.542 ' HB3' HD23 ' A' ' 116' ' ' LEU . 45.8 mm-40 -55.02 -45.33 75.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 63.24 110.342 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 122' ' ' ASP . 7.6 p -72.64 -53.63 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 73.05 109.259 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.553 ' N ' HG13 ' A' ' 121' ' ' VAL . 8.0 t70 -49.32 -23.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 74.33 109.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 121' ' ' VAL . 1.5 t70 -90.92 -33.92 15.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 73.12 109.281 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 121' ' ' VAL . 27.1 ttm -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 70.3 110.97 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' A' ' 102' ' ' ALA . 6.1 mt -70.0 -52.14 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.03 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 125' ' ' LEU . 34.7 mtt180 -36.99 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 72.22 110.318 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 125' ' ' LEU . 51.1 mt-10 -46.54 -50.63 16.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 71.01 110.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.517 HG11 ' CB ' ' A' ' 142' ' ' ALA . 21.1 m -132.82 14.98 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 71.35 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.4 p -99.12 -13.61 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 64.42 110.011 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 46.3 t0 59.05 24.97 13.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 64.23 109.314 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.82 -5.78 60.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 34.14 110.999 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' A' ' 133' ' ' GLY . 24.0 p -45.91 -68.61 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 74.21 110.004 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.484 ' N ' ' OG ' ' A' ' 132' ' ' SER . . . 138.27 -7.84 3.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 73.42 111.011 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 23.3 mt-10 -147.39 158.24 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 70.2 110.3 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.74 HD11 ' CD1' ' A' ' 105' ' ' LEU . 4.0 pt -125.39 122.48 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.12 109.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.792 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.12 177.63 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 72.52 109.292 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.716 HD12 HD12 ' A' ' 85' ' ' LEU . 8.8 tp -49.56 -22.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 61.42 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 136' ' ' ASN . 6.6 mm100 -84.61 -56.87 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 60.21 110.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.638 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 63.0 mt-30 -66.01 -57.26 8.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 73.33 110.296 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 85' ' ' LEU . 17.2 t80 -44.74 -46.11 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 64.23 110.998 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.757 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -58.82 -33.35 70.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 42.33 109.305 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -51.82 -43.43 63.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 71.44 109.26 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.0 -45.71 87.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 72.1 109.346 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.058 HD12 HD22 ' A' ' 85' ' ' LEU . 7.9 mt -70.9 -6.98 42.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.24 109.25 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 75.32 109.968 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 49.2 mmt-85 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.339 -0.245 . . . . 74.41 110.339 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.525 ' CB ' ' NH2' ' A' ' 459' ' ' ARG . 0.0 OUTLIER -61.32 -17.81 55.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.03 109.29 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.88 -15.87 27.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 71.53 109.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.6 OUTLIER -69.13 -45.37 70.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 74.1 109.267 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.525 ' NH2' ' CB ' ' A' ' 456' ' ' LYS . 1.3 ptp85 -74.08 -26.24 60.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 73.23 110.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.598 ' HA ' HD12 ' A' ' 463' ' ' LEU . 10.1 t30 -62.14 -34.3 76.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 75.24 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.899 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -60.03 -26.4 66.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 75.52 109.313 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.65 HG23 ' HE1' ' A' ' 92' ' ' PHE . 15.8 mt -89.65 -37.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 71.33 109.345 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 460' ' ' ASN . 93.0 mt -42.41 -46.73 4.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 75.34 109.254 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.899 ' O ' HG22 ' A' ' 468' ' ' VAL . . . -70.46 -59.71 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 75.32 109.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 0.958 HG23 HD13 ' A' ' 39' ' ' LEU . 90.1 mt -39.29 -31.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 65.3 109.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.903 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -85.98 -70.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 63.41 109.271 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 469' ' ' SER . 6.5 mttp -42.93 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 74.11 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 464' ' ' ALA . 4.5 m -38.49 -31.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 71.33 109.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -77.6 -52.86 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 72.13 110.027 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -53.41 -42.9 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 73.34 110.308 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.974 ' SD ' HD21 ' A' ' 71' ' ' LEU . 4.7 mtp -49.46 -22.46 1.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 61.23 111.017 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 11.0 t80 -90.13 -26.79 20.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 72.54 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 470' ' ' ARG . 0.9 OUTLIER -90.75 -3.42 57.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 70.01 109.968 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 471' ' ' MET . 8.8 p -106.52 -49.76 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 74.31 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.471 ' N ' HG13 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -41.81 -36.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 63.21 109.311 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.41 110.304 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.6 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.393 -0.225 . . . . 74.44 110.393 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -47.54 -29.71 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 74.51 110.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.82 -33.68 57.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 72.12 110.252 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' THR . 26.2 mm100 -69.41 -37.13 77.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 70.24 110.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.148 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -63.19 -20.29 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.24 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.03 -15.48 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 73.32 109.279 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 34.2 mt-10 -81.36 -62.06 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 70.12 110.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -51.35 -19.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 73.41 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.3 mttt -56.15 -46.26 79.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 72.04 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.625 ' CD ' ' HB1' ' A' ' 457' ' ' ALA . 13.3 mt-10 -57.82 -31.13 66.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 61.33 110.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.912 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -77.52 -16.27 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 64.45 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.469 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 16.4 t80 -83.75 -34.46 24.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 54.43 110.994 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.86 -19.48 65.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 63.44 109.255 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.75 HD21 ' HG2' ' A' ' 461' ' ' LYS . 47.0 mt -52.31 -38.62 59.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 72.1 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 26.4 m-85 -106.45 -51.82 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 62.25 110.999 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -51.01 92.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 75.21 109.251 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.616 ' CE ' HG21 ' A' ' 34' ' ' THR . 24.2 mmtt -68.58 -67.68 0.45 Allowed 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 123.665 1.698 . . . . 70.04 109.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -76.23 -15.24 60.07 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.901 -1.047 . . . . 71.33 109.983 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.62 63.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 71.21 109.299 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.7 p30 -97.16 -15.64 20.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 53.31 109.293 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.433 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 100.16 31.64 5.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 63.11 111.057 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.34 111.67 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 74.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 31.8 mt -89.11 104.72 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 72.21 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -69.56 179.68 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.0 109.96 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.29 -37.25 74.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 73.02 109.991 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -19.34 62.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 64.5 109.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 34' ' ' THR . 34.5 mt-10 -90.48 -47.71 7.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 74.11 110.269 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.928 HD22 HG13 ' A' ' 48' ' ' VAL . 3.4 tt -59.41 -50.4 74.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 60.4 109.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.579 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -66.13 -12.42 55.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 72.34 109.275 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.616 HG21 ' CE ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -70.43 -27.52 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 73.42 110.364 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -90.25 -53.95 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 61.22 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.651 ' CE ' HD13 ' A' ' 41' ' ' LEU . 81.5 mmm -42.0 -51.08 4.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.33 111.026 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' SER . 16.9 ptp180 -65.44 -40.27 93.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 73.5 110.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 72.5 m -54.73 -29.42 53.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 63.32 109.998 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.076 HD13 HG23 ' A' ' 465' ' ' ILE . 14.0 mt -81.46 -21.85 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 72.21 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.01 3.35 8.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 75.42 111.017 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.651 HD13 ' CE ' ' A' ' 36' ' ' MET . 16.5 mt -78.7 -175.72 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 64.55 109.273 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.468 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.3 t -162.56 61.1 1.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.04 110.001 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.03 142.71 28.1 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 75.33 111.001 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.99 141.85 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 71.41 109.953 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 36.6 tt0 -44.48 -30.08 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 75.42 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.99 -50.55 73.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 65.33 109.291 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.508 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.2 mt-10 -77.41 -51.33 10.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 70.55 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.928 HG13 HD22 ' A' ' 32' ' ' LEU . 73.0 t -40.61 -34.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 74.4 109.284 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' ASN . 88.0 m-20 -66.17 -66.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.15 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -54.09 -18.8 4.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 73.34 109.272 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 471' ' ' MET . 0.2 OUTLIER -76.09 -55.67 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 72.12 109.338 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 49' ' ' ASN . 10.4 ptm -79.95 -8.17 59.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 62.44 111.017 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' ASN . 3.1 m-80 -88.21 -8.26 55.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.45 109.324 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 1.018 ' C ' HD13 ' A' ' 55' ' ' ILE . 1.3 mt-10 -92.99 -9.13 41.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 55.32 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 1.018 HD13 ' C ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -114.85 -43.7 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 74.33 109.313 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.485 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 6.4 t0 -37.6 113.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 73.44 109.298 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.472 HG12 ' OE1' ' A' ' 67' ' ' GLU . 2.1 p -93.96 -26.69 4.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-O 123.645 1.688 . . . . 65.51 109.278 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 55.1 p30 -94.86 -9.8 33.24 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.937 -1.03 . . . . 73.11 109.996 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 63.85 38.99 96.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 40.54 110.972 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.485 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 33.6 p-10 -101.16 21.3 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 70.14 109.331 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 59.2 t-80 51.49 43.85 29.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 70.14 109.573 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 41.5 mt-30 -159.06 179.79 8.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 75.4 110.265 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.16 124.48 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.31 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 10.7 mt-10 -96.48 174.48 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.44 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 1.148 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 2.9 t80 -75.39 -11.57 60.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 75.12 111.041 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 8.6 t -91.07 -32.57 15.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.1 109.981 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.472 ' OE1' HG12 ' A' ' 57' ' ' VAL . 6.1 mt-10 -85.5 -47.57 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.21 110.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -58.66 -43.53 89.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 74.22 111.028 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.095 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -74.28 -21.4 59.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 73.14 109.313 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.095 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -84.53 -15.45 45.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 64.41 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.551 ' CD1' HD12 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -76.97 -53.62 7.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 72.24 109.272 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -46.81 -22.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.42 111.004 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -114.17 37.93 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 64.24 109.999 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LEU . 4.5 ttt-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.31 110.259 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.81 ' HG ' ' HB2' ' A' ' 141' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.293 -0.632 . . . . 75.41 109.293 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 87' ' ' GLU . 3.7 pp -57.15 -43.5 82.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.44 109.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.451 ' N ' HD12 ' A' ' 86' ' ' LEU . 32.0 mm-40 -56.48 -39.53 73.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 61.31 110.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.848 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -90.99 -12.34 36.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 75.2 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 85' ' ' LEU . 48.4 t80 -71.87 -55.64 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 75.34 111.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -1.24 21.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 65.34 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -96.3 -35.72 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 74.42 109.293 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.795 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.6 m-85 -86.48 -35.36 19.67 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 123.634 1.683 . . . . 72.22 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -76.09 101.06 5.17 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 117.897 -1.049 . . . . 71.55 109.948 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -31.97 19.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 73.43 109.276 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.31 -51.04 12.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 73.24 109.271 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 94.26 67.72 1.04 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 74.32 111.011 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.681 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -127.15 3.0 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 60.31 109.317 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.877 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 77.58 18.09 78.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 52.05 111.036 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.877 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.0 mt -149.88 115.84 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 74.41 109.319 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.624 HD13 ' CB ' ' A' ' 92' ' ' PHE . 55.9 mt -79.61 103.61 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 75.24 109.32 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 133' ' ' GLY . 38.7 t -72.06 173.4 8.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 63.03 110.028 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.633 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -45.63 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 71.24 109.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.443 ' C ' ' N ' ' A' ' 105' ' ' LEU . . . -41.68 -66.39 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 74.44 109.349 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -40.69 -27.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 65.13 110.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.776 HD12 ' HE2' ' A' ' 92' ' ' PHE . 41.9 tp -90.56 -73.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 63.31 109.339 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.554 ' CB ' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.44 -61.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 75.12 109.286 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.85 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.53 -41.98 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 71.1 109.616 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.85 HG23 ' CE1' ' A' ' 107' ' ' HIS . 1.7 t -68.95 -39.56 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 71.21 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.041 HD12 HD12 ' A' ' 116' ' ' LEU . 1.1 mt -61.8 -37.51 84.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.43 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.914 HG23 ' HG2' ' A' ' 115' ' ' LYS . 52.1 m -75.13 -8.04 55.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 75.13 110.377 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.722 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -84.34 -19.63 33.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 64.45 110.023 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.027 HG21 HD11 ' A' ' 465' ' ' ILE . 5.8 pt -92.47 -26.05 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 75.34 109.292 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 129.13 1.09 5.82 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.488 1.117 . . . . 72.45 111.031 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.826 ' OE1' HD13 ' A' ' 109' ' ' LEU . 3.6 pt-20 -112.05 121.81 46.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 54.35 110.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.914 ' HG2' HG23 ' A' ' 110' ' ' THR . 5.2 mtmm -109.87 110.64 21.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 74.23 109.318 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 1.041 HD12 HD12 ' A' ' 109' ' ' LEU . 75.3 mt -96.75 138.02 34.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 61.22 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' GLU . 45.4 p -60.47 145.25 49.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 64.43 110.399 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 2.0 m-20 -42.68 -33.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 75.14 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 123' ' ' ASP . . . -77.82 -45.02 25.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 73.52 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' THR . 17.3 mm-40 -54.24 -44.08 71.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 41.25 110.331 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' A' ' 106' ' ' LYS . 7.9 p -78.5 -52.31 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 55.52 109.283 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.558 ' HA ' HD12 ' A' ' 125' ' ' LEU . 23.0 t70 -55.85 -21.19 18.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 61.12 109.308 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 119' ' ' ALA . 7.1 t0 -91.22 -36.0 14.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 63.43 109.302 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.527 ' O ' HD21 ' A' ' 143' ' ' LEU . 18.5 ttm -61.6 -32.77 72.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 71.15 111.036 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.633 HD11 ' HA ' ' A' ' 102' ' ' ALA . 4.7 mt -68.89 -56.99 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 65.33 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 125' ' ' LEU . 25.6 mtt-85 -37.3 -30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 74.31 110.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.4 mm-40 -45.9 -50.69 14.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 71.5 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.655 HG11 ' CB ' ' A' ' 142' ' ' ALA . 31.0 m -132.7 13.67 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 61.32 109.34 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.0 p -98.47 8.27 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 71.23 110.003 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 129' ' ' SER . 27.4 t70 39.58 45.2 1.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 72.34 109.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.04 45.71 71.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 23.03 110.985 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 129' ' ' SER . 40.8 t -101.71 -74.17 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.767 . . . . 74.11 110.011 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 101' ' ' SER . . . 147.07 -15.17 1.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 64.3 110.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -134.56 156.71 48.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 55.21 110.339 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.422 ' HB ' ' N ' ' A' ' 140' ' ' PHE . 2.4 pt -127.53 113.76 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 71.23 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.61 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -70.89 -173.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 62.4 109.313 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.658 HD12 HD12 ' A' ' 85' ' ' LEU . 4.7 tp -60.58 -24.54 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 73.41 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.455 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 7.5 mm100 -83.74 -57.11 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 74.33 110.303 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.574 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 63.4 mt-30 -59.39 -53.84 53.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 55.13 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.494 ' CD2' HD13 ' A' ' 85' ' ' LEU . 11.4 t80 -47.55 -37.27 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.45 111.01 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.81 ' HB2' ' HG ' ' A' ' 85' ' ' LEU . . . -74.06 -28.71 61.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 73.02 109.339 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.655 ' CB ' HG11 ' A' ' 128' ' ' VAL . . . -53.76 -47.11 71.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 61.45 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.527 HD21 ' O ' ' A' ' 124' ' ' MET . 0.8 OUTLIER -58.63 -42.06 87.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 72.14 109.285 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.776 HD12 HD22 ' A' ' 85' ' ' LEU . 4.6 mt -68.1 -14.89 63.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 73.22 109.27 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 43.25 110.011 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 44.2 mmt-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.303 -0.258 . . . . 72.4 110.303 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.448 ' HA ' ' NH2' ' A' ' 459' ' ' ARG . 4.5 ptpt -61.95 -27.76 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 73.44 109.315 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 457' ' ' ALA . . . . . 0.625 ' HB1' ' CD ' ' A' ' 14' ' ' GLU . . . -82.76 -19.22 38.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 74.23 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.507 HD11 ' HE1' ' A' ' 124' ' ' MET . 0.2 OUTLIER -64.72 -59.35 4.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 75.31 109.317 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.73 ' O ' HD13 ' A' ' 463' ' ' LEU . 2.0 ptp85 -59.44 -25.4 64.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 72.22 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.481 ' OD1' ' HB2' ' A' ' 15' ' ' ALA . 6.9 t30 -70.74 -32.22 69.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 64.33 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.75 ' HG2' HD21 ' A' ' 18' ' ' LEU . 2.9 ttmt -56.88 -26.24 58.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 75.12 109.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.784 HG23 ' CE1' ' A' ' 92' ' ' PHE . 39.9 mt -89.51 -29.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 73.45 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.73 HD13 ' O ' ' A' ' 459' ' ' ARG . 6.3 mp -52.76 -59.71 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 73.52 109.24 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.912 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -51.89 -58.14 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 51.33 109.311 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.076 HG23 HD13 ' A' ' 39' ' ' LEU . 43.1 mt -44.56 -26.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 72.43 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.848 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -85.89 -72.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 74.44 109.346 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.697 ' HZ2' ' HG ' ' A' ' 463' ' ' LEU . 1.7 mptt -44.22 -64.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 63.53 109.291 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.8 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 34.3 t -44.93 -45.26 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.43 109.327 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 12.1 t -64.25 -32.62 74.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 74.51 109.97 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.5 OUTLIER -71.58 -40.56 69.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 74.43 110.281 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.598 ' HB3' HD21 ' A' ' 51' ' ' LEU . 5.3 mtm -47.46 -28.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 64.23 111.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 13.7 t80 -88.25 -26.02 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 73.11 111.048 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 470' ' ' ARG . 4.1 m -89.09 -2.07 58.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 62.5 110.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 475' ' ' LEU . 11.7 p -111.34 -48.57 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 65.52 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -39.17 -36.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 62.25 109.308 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 52.33 110.327 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.414 -0.217 . . . . 53.14 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -56.63 -20.58 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 74.15 110.266 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -83.92 -23.73 31.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 74.01 110.293 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.407 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 9.3 mm100 -81.07 -34.72 32.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 61.11 110.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.864 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 2.0 mm -61.88 -28.03 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 73.44 109.312 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.59 -12.19 60.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 64.32 109.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.498 ' OE1' ' HB2' ' A' ' 457' ' ' ALA . 22.8 mm-40 -81.08 -64.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 72.32 110.298 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -44.97 -25.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 63.24 110.958 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.0 mttt -55.84 -45.5 78.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 71.41 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.13 -37.58 80.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 64.33 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -75.02 -15.16 60.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 60.01 109.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.5 t80 -79.72 -46.49 16.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 73.12 111.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' LEU . . . -53.33 -29.65 35.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 65.25 109.319 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.905 HD21 ' HG2' ' A' ' 461' ' ' LYS . 84.2 mt -39.78 -42.18 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 73.42 109.286 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.636 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 21.8 m-85 -109.64 -39.06 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 70.35 110.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -66.77 84.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 62.32 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.632 ' HE3' HG21 ' A' ' 34' ' ' THR . 21.0 mmtt -65.39 -67.37 0.45 Allowed 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.605 1.669 . . . . 73.2 109.345 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -73.2 -16.71 61.41 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 117.942 -1.028 . . . . 63.31 110.015 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 63.1 62.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 73.12 109.299 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 19.7 p30 -99.24 -3.6 33.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 75.44 109.25 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.1 32.88 19.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 74.51 110.947 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.91 111.75 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 0.741 . . . . 71.11 110.026 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' ' 19' ' ' PHE . 30.4 mt -91.68 101.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 72.42 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 p -68.92 164.01 23.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.43 109.981 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -41.44 71.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 44.43 110.0 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -18.21 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 73.14 109.981 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.657 ' O ' HG22 ' A' ' 34' ' ' THR . 48.2 mt-10 -90.45 -49.21 6.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 64.25 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.139 HD22 HG13 ' A' ' 48' ' ' VAL . 1.3 tt -58.26 -42.52 86.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 72.22 109.33 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -71.88 -12.7 61.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 45.42 109.307 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -71.77 -29.07 64.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 61.2 110.358 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.545 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -91.13 -60.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 64.02 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.756 ' CE ' HD13 ' A' ' 41' ' ' LEU . 80.9 mmm -37.24 -52.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.34 110.997 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' SER . 11.8 ptp180 -62.86 -42.19 99.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 65.02 110.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' VAL . 74.1 m -58.59 -26.73 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 65.21 109.972 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.048 HD13 HG23 ' A' ' 465' ' ' ILE . 14.5 mt -78.69 -21.19 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 63.34 109.338 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.28 0.42 8.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.137 . . . . 72.55 111.014 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.756 HD13 ' CE ' ' A' ' 36' ' ' MET . 33.8 mt -80.01 -176.71 5.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 52.14 109.283 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.484 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 10.9 t -162.73 60.23 0.98 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 63.44 109.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.94 148.33 35.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 75.42 111.017 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m -91.22 139.84 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 72.43 109.978 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 55.2 tt0 -48.38 -27.11 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 64.11 110.307 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.25 -48.46 75.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 60.54 109.3 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.858 ' HB3' HD21 ' A' ' 475' ' ' LEU . 2.0 mt-10 -76.3 -51.42 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.31 110.314 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.139 HG13 HD22 ' A' ' 32' ' ' LEU . 52.1 t -40.3 -29.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 53.34 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 47' ' ' GLU . 85.1 m-20 -74.55 -66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 62.22 109.319 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.791 ' HB3' HD13 ' A' ' 475' ' ' LEU . 33.0 t0 -49.95 -22.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 70.2 109.322 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.723 ' HB2' HD22 ' A' ' 475' ' ' LEU . 2.8 tt -81.59 -61.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 71.24 109.315 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.464 ' HE2' ' HB2' ' A' ' 52' ' ' MET . 5.2 ptm -63.12 -12.92 30.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 62.1 110.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -88.51 -13.65 39.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 64.55 109.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.693 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.6 mm-40 -81.48 -9.89 59.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.51 110.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.799 HG21 HD22 ' A' ' 71' ' ' LEU . 2.4 mm -117.89 -43.16 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 54.12 109.29 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 7.1 t0 -38.3 119.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 64.11 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.476 ' CG1' ' HG2' ' A' ' 67' ' ' GLU . 2.7 p -92.08 -31.71 4.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 CA-C-O 123.634 1.683 . . . . 74.41 109.27 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.6 p30 -93.03 -6.95 47.11 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.942 -1.028 . . . . 74.43 110.007 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.5 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.16 42.14 87.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 63.32 111.009 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.41 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 38.0 p-10 -97.39 12.49 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 73.1 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.684 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 5.8 t-80 64.35 32.65 11.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 62.14 109.621 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 42.1 mt-30 -153.07 -176.76 5.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.41 110.327 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.3 126.31 61.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 73.34 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.472 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 1.2 tt0 -94.71 174.62 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 73.44 110.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.864 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.4 t80 -73.74 -13.45 60.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 73.03 111.007 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.1 t -89.17 -43.85 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 73.43 109.96 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.476 ' HG2' ' CG1' ' A' ' 57' ' ' VAL . 11.5 mt-10 -71.85 -47.65 51.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 62.33 110.319 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -55.05 -43.81 74.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 62.22 110.961 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.779 HD22 HG23 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -72.48 -36.16 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 70.31 109.306 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.62 -14.46 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 75.3 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.903 HD21 ' SD ' ' A' ' 471' ' ' MET . 8.7 tp -76.24 -49.82 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 71.5 109.249 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.486 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.8 OUTLIER -59.73 -42.96 94.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 71.44 111.002 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -6.29 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 54.1 109.965 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 72.33 110.313 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.977 HD22 HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.294 -0.632 . . . . 70.13 109.294 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 pp -49.1 -40.06 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 64.42 109.305 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 25.5 mm-40 -69.55 -60.04 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.13 110.253 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -60.54 -13.8 16.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 53.31 109.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 85' ' ' LEU . 47.5 t80 -85.61 -45.18 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 70.13 111.007 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -81.47 -3.18 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 63.42 109.299 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -98.48 -42.37 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.12 109.31 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.932 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.0 m-85 -69.81 -38.33 76.58 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.57 1.653 . . . . 73.04 111.01 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.7 100.67 2.88 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.899 -1.048 . . . . 63.33 110.002 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.45 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -87.28 -31.81 20.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 55.24 109.302 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.456 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -77.37 -45.8 24.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 64.44 109.282 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.58 77.06 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 73.42 111.016 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.684 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.07 10.21 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 72.41 109.294 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.863 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.53 19.34 74.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 72.14 111.038 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.3 mt -149.9 110.99 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 63.23 109.287 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.599 HD13 ' CB ' ' A' ' 92' ' ' PHE . 60.7 mt -76.29 103.75 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 61.31 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.71 177.19 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 62.15 110.027 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -47.18 -70.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 63.32 109.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -40.04 -66.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 51.33 109.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 37.0 mt-10 -38.45 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 64.14 110.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.768 HD23 HG23 ' A' ' 121' ' ' VAL . 4.0 tp -93.32 -72.96 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 72.42 109.271 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.632 ' HD2' HG11 ' A' ' 121' ' ' VAL . 18.7 ptmt -46.03 -57.42 4.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 73.41 109.287 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.658 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -48.39 -41.24 28.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 61.31 109.606 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.932 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -64.04 -55.41 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 61.2 109.256 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 109' ' ' LEU . 1.9 mm? -59.19 -22.83 61.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 73.21 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.6 m -84.81 -17.34 38.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 73.41 110.383 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.7 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -75.94 -12.98 60.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 52.21 109.994 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 465' ' ' ILE . 6.2 pt -108.24 -30.32 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 74.32 109.251 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 146.78 -30.92 1.51 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 23.23 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.441 ' HG3' ' CD ' ' A' ' 461' ' ' LYS . 13.1 mt-10 -64.55 110.45 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.746 . . . . 74.1 110.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -114.25 91.97 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 52.2 109.275 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.824 HD23 ' HB3' ' A' ' 120' ' ' GLU . 2.6 mp -88.87 135.9 33.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 65.43 109.324 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 120' ' ' GLU . 74.9 p -64.85 153.62 39.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 71.54 110.39 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 25.3 t70 -45.43 -40.32 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 65.21 109.313 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 123' ' ' ASP . . . -68.4 -39.07 81.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 75.14 109.269 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.824 ' HB3' HD23 ' A' ' 116' ' ' LEU . 14.4 mm-40 -63.79 -60.08 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 72.11 110.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.768 HG23 HD23 ' A' ' 105' ' ' LEU . 7.8 p -59.19 -56.34 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 74.53 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.556 ' N ' HG13 ' A' ' 121' ' ' VAL . 10.7 t70 -52.67 -21.97 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 71.02 109.254 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 3.8 t70 -91.73 -28.63 17.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 75.25 109.271 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.514 ' O ' ' CG ' ' A' ' 127' ' ' GLU . 15.6 tpp -66.9 -41.47 87.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 62.33 111.001 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 127' ' ' GLU . 10.7 mt -60.31 -55.25 35.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 61.41 109.317 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 19.1 mtt-85 -37.75 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 74.42 110.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 124' ' ' MET . 94.6 mt-10 -44.87 -49.25 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 55.32 110.315 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.546 HG22 HD21 ' A' ' 143' ' ' LEU . 33.5 m -132.03 10.34 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 41.44 109.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 132' ' ' SER . 1.5 p -97.74 3.25 50.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 53.24 110.034 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.9 t70 40.67 32.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 73.4 109.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.77 46.62 60.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 72.55 111.011 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 129' ' ' SER . 1.1 m -97.06 -72.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 62.54 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 147.31 -14.52 1.45 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 62.52 110.968 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -146.28 163.36 35.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 72.2 110.295 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.567 ' CD1' HD11 ' A' ' 143' ' ' LEU . 5.2 pt -131.31 131.1 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 74.42 109.298 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.509 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -97.06 -176.39 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 50.54 109.263 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.534 HG23 ' OE1' ' A' ' 138' ' ' GLN . 3.3 tp -53.44 -20.2 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 73.34 109.262 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.534 ' OE1' HG23 ' A' ' 137' ' ' ILE . 6.1 mm100 -86.61 -55.33 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 71.24 110.323 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 64.1 mt-30 -65.35 -57.85 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 73.23 110.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.726 ' CE2' HD13 ' A' ' 85' ' ' LEU . 17.9 t80 -44.77 -46.47 10.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 74.01 111.028 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.707 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -62.19 -31.89 72.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 72.1 109.252 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -58.75 -19.67 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 64.44 109.298 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 135' ' ' ILE . 85.7 mt -72.55 -66.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 62.34 109.291 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.977 HD12 HD22 ' A' ' 85' ' ' LEU . 10.0 mt -49.58 -22.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.42 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 143' ' ' LEU . 72.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 64.44 109.991 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.256 -0.276 . . . . 73.44 110.256 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 456' ' ' LYS . 0.0 OUTLIER -60.27 -19.42 54.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 75.43 109.263 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 457' ' ' ALA . . . . . 0.498 ' HB2' ' OE1' ' A' ' 11' ' ' GLU . . . -92.5 -17.65 24.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 52.03 109.283 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -52.14 65.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 43.32 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.492 ' O ' HD13 ' A' ' 463' ' ' LEU . 3.6 ptp180 -73.51 -25.71 60.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 74.14 110.293 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.676 ' HA ' HD22 ' A' ' 463' ' ' LEU . 11.7 t30 -58.07 -31.26 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 71.31 109.311 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.905 ' HG2' HD21 ' A' ' 18' ' ' LEU . 4.8 ttmt -59.98 -25.35 65.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 72.45 109.253 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.719 HG23 ' HE1' ' A' ' 92' ' ' PHE . 39.2 mt -88.05 -34.25 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 60.33 109.301 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.676 HD22 ' HA ' ' A' ' 460' ' ' ASN . 3.3 mp -48.73 -45.09 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 50.43 109.31 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.86 ' O ' HG22 ' A' ' 468' ' ' VAL . . . -72.05 -53.36 13.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 65.33 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.048 HG23 HD13 ' A' ' 39' ' ' LEU . 24.9 mt -48.21 -24.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 71.44 109.338 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -84.25 -71.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.11 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 470' ' ' ARG . 5.7 mttp -44.05 -65.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.43 109.34 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.86 HG22 ' O ' ' A' ' 464' ' ' ALA . 7.9 m -38.43 -31.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.32 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -74.31 -53.6 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 54.11 110.017 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 467' ' ' LYS . 1.0 OUTLIER -55.42 -42.17 73.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.13 110.273 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.903 ' SD ' HD21 ' A' ' 71' ' ' LEU . 27.8 mtp -42.97 -49.1 6.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 70.33 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.703 ' HA ' HD12 ' A' ' 51' ' ' LEU . 7.0 t80 -50.54 -36.95 36.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 73.53 111.059 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -75.44 -26.54 58.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 51.52 110.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.443 HG22 HH11 ' A' ' 470' ' ' ARG . 47.3 t -74.68 -51.61 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 64.1 109.315 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.858 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.02 -38.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 52.04 109.272 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 72.41 110.286 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.441 -0.207 . . . . 73.31 110.441 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -52.23 -35.29 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 71.12 110.338 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -70.9 -25.6 62.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -78.34 -36.96 45.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.12 110.253 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.167 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.6 mm -63.38 -21.27 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 73.22 109.302 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.68 -17.55 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 74.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HG3' ' HZ1' ' A' ' 456' ' ' LYS . 23.8 mm-40 -80.03 -66.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 61.01 110.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.424 ' CB ' ' HB2' ' A' ' 69' ' ' LEU . 77.6 m-85 -42.68 -26.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 53.41 110.99 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 12.1 mttt -51.55 -47.56 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.4 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.459 ' HB3' ' CE ' ' A' ' 461' ' ' LYS . 6.6 mm-40 -55.14 -46.4 75.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 74.12 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -66.24 -15.33 63.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 71.14 109.26 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.47 ' CZ ' ' C ' ' A' ' 64' ' ' GLU . 1.4 t80 -85.22 -36.85 20.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 75.42 110.969 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -14.27 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 54.43 109.326 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.807 HD21 ' HG3' ' A' ' 461' ' ' LYS . 38.7 mt -56.74 -40.07 75.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 63.14 109.278 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CD1' HD13 ' A' ' 27' ' ' ILE . 2.4 m-85 -108.83 -45.8 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 74.2 111.031 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.0 92.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 73.15 109.247 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.753 ' HE3' HG21 ' A' ' 34' ' ' THR . 4.8 mmtp -69.73 -67.43 0.49 Allowed 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 123.633 1.682 . . . . 74.12 109.309 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.7 p30 -74.12 -20.4 60.26 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.876 -1.059 . . . . 74.01 109.967 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 m120 69.56 60.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 75.25 109.278 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 23.7 p30 -98.21 -23.13 15.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 61.02 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 105.42 40.87 1.99 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 52.31 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.95 115.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 74.2 109.983 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.639 HD13 ' CD1' ' A' ' 19' ' ' PHE . 95.9 mt -102.29 93.39 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 75.14 109.358 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.452 ' OG ' ' NE2' ' A' ' 61' ' ' HIS . 33.5 t -67.71 -170.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 54.01 109.999 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.446 ' N ' ' OG ' ' A' ' 28' ' ' SER . 30.5 t -74.7 -23.6 58.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 70.04 110.019 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.55 -27.28 58.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 70.3 109.957 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 34' ' ' THR . 83.1 mt-10 -90.86 -37.32 13.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 74.03 110.263 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.877 HD22 HG13 ' A' ' 48' ' ' VAL . 1.3 tt -68.03 -56.94 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 72.14 109.307 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.64 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -64.05 -12.71 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 71.41 109.27 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.753 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -74.65 -35.73 62.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 62.24 110.381 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.56 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.3 t -78.94 -63.84 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.32 109.292 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.654 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 88.7 mtp -38.08 -51.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 73.43 110.979 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -62.12 -40.85 97.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 70.04 110.316 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' VAL . 21.1 p -58.57 -16.37 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 72.54 110.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.996 HD13 HG23 ' A' ' 465' ' ' ILE . 19.2 mt -93.6 -20.33 20.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 72.41 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.33 1.15 8.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 73.23 111.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.638 HD13 ' HE2' ' A' ' 36' ' ' MET . 17.8 mt -77.98 177.73 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 52.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -158.64 59.59 1.54 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 72.41 109.965 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.05 137.93 22.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.821 . . . . 72.52 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -76.48 140.07 41.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 72.31 110.027 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -55.0 -26.6 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 75.12 110.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.88 74.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.43 109.289 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.761 ' HB3' HD21 ' A' ' 475' ' ' LEU . 2.6 mm-40 -74.37 -51.65 14.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 51.14 110.287 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.877 HG13 HD22 ' A' ' 32' ' ' LEU . 45.6 t -39.62 -30.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 63.53 109.245 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.54 ' OD1' ' CE1' ' A' ' 61' ' ' HIS . 72.4 m-20 -74.76 -66.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 73.33 109.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.88 -23.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 70.1 109.311 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.982 ' HB2' HD22 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -75.52 -68.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 73.14 109.272 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.578 ' HE1' ' O ' ' A' ' 61' ' ' HIS . 7.5 ptm -61.4 -12.56 14.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 74.32 110.999 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 1.1 m-80 -78.14 -7.91 57.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 65.1 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' C ' HD13 ' A' ' 55' ' ' ILE . 11.0 mm-40 -99.32 -11.34 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 70.1 110.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.617 HD12 HD13 ' A' ' 71' ' ' LEU . 1.2 mm -108.57 -53.44 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 53.1 109.335 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 6.5 t0 -37.9 122.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 72.03 109.283 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.3 t -81.67 -34.26 12.78 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-O 123.674 1.702 . . . . 74.15 109.335 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 51.9 p30 -97.84 -6.74 31.88 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 117.909 -1.043 . . . . 74.21 109.993 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.48 41.93 93.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 44.45 111.005 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 34.3 p-10 -92.59 13.48 19.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 73.03 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.637 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 43.7 t60 65.85 29.78 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 75.34 109.581 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 47.4 mt-30 -152.24 158.73 43.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 73.42 110.349 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.496 HG22 ' HB2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -108.21 124.0 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 72.44 109.323 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.47 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 7.2 mt-10 -90.0 -178.75 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 42.13 110.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 1.167 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 9.0 t80 -79.21 -10.97 59.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 72.11 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.508 ' C ' HD12 ' A' ' 69' ' ' LEU . 16.7 p -97.14 -27.73 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 63.14 110.007 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -86.55 -53.78 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 62.24 110.324 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.496 ' HB2' HG22 ' A' ' 63' ' ' ILE . 83.9 t80 -55.34 -43.59 75.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 72.13 110.97 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.072 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.71 -24.58 63.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 71.1 109.356 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.072 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -86.44 -15.45 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 64.12 109.331 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.623 HD21 ' SD ' ' A' ' 471' ' ' MET . 54.5 tp -74.36 -53.85 8.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 74.12 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -47.9 -45.0 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 75.01 110.991 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 p -72.89 -22.57 60.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 75.31 110.023 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 72.44 110.269 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.079 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.3 -0.63 . . . . 72.51 109.3 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 pp -53.89 -35.38 61.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.0 mm-40 -67.09 -58.74 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 74.45 110.334 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -64.87 -17.66 64.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 70.23 109.291 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 30.2 t80 -77.11 -57.68 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 72.25 110.986 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -18.96 61.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 71.41 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 87' ' ' GLU . 5.0 t -73.93 -49.37 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 40.33 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.981 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.5 m-85 -67.76 -38.63 83.71 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.656 1.693 . . . . 73.41 110.965 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.468 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.4 OUTLIER -72.67 101.53 3.08 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.872 -1.061 . . . . 75.43 109.941 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -35.8 23.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 62.0 109.286 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.6 OUTLIER -74.63 -46.69 36.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 71.14 109.266 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.92 77.22 1.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 20.1 111.016 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.502 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -133.03 5.61 3.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 63.43 109.273 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.915 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 81.41 14.06 79.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 73.33 110.977 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.915 HD23 ' O ' ' A' ' 98' ' ' GLY . 0.5 OUTLIER -151.0 116.12 5.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 73.14 109.311 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.584 HD13 ' CB ' ' A' ' 92' ' ' PHE . 66.5 mt -76.18 99.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 73.12 109.332 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.1 t -64.12 174.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 31.43 110.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.929 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -47.46 -70.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 71.32 109.265 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.21 -67.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 65.31 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 31.7 mt-10 -37.93 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 73.1 110.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.693 HD23 HD11 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -89.14 -72.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 74.41 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.598 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -47.76 -59.22 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.42 109.309 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.718 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -41.26 -40.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 72.32 109.597 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.981 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.7 t -71.26 -42.81 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 62.21 109.312 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.627 HD23 HD13 ' A' ' 105' ' ' LEU . 1.6 mm? -59.78 -34.48 73.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 63.23 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.7 m -84.85 -14.98 46.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 64.52 110.4 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.27 -0.06 39.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.44 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.941 HG21 HD11 ' A' ' 465' ' ' ILE . 12.5 pt -111.94 -33.56 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 70.32 109.325 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.58 -39.82 1.01 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 60.22 111.029 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.474 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -53.83 171.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 71.3 110.322 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 2.7 mtmp? -148.85 114.31 5.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 73.34 109.274 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.821 HD22 ' HB3' ' A' ' 120' ' ' GLU . 12.9 mt -123.03 133.23 54.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 61.42 109.293 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 120' ' ' GLU . 26.9 p -65.11 145.34 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 75.02 110.395 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -45.46 -27.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 63.41 109.33 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 117' ' ' THR . . . -81.3 -42.85 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 61.33 109.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.821 ' HB3' HD22 ' A' ' 116' ' ' LEU . 5.9 mm-40 -57.38 -43.81 83.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 63.54 110.308 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.598 HG21 ' HG2' ' A' ' 106' ' ' LYS . 10.1 p -72.27 -54.36 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 75.02 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.563 ' N ' HG13 ' A' ' 121' ' ' VAL . 30.8 t70 -47.18 -24.71 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 72.41 109.271 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.414 ' N ' ' C ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -91.48 -36.13 13.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.54 109.3 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.736 ' HE1' HD11 ' A' ' 458' ' ' LEU . 25.6 ttm -58.38 -34.45 70.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 64.03 111.017 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.929 HD11 ' HA ' ' A' ' 102' ' ' ALA . 3.5 mt -70.31 -59.21 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 61.24 109.276 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -39.51 -29.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 71.22 110.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 125' ' ' LEU . 4.0 mm-40 -42.85 -46.31 5.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 62.43 110.276 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.411 HG23 HG22 ' A' ' 135' ' ' ILE . 25.7 m -123.82 -0.69 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 33.52 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.503 ' HA ' ' NE2' ' A' ' 139' ' ' GLN . 0.0 OUTLIER -83.22 -8.42 59.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 72.32 110.015 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.2 t70 60.31 28.5 18.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 74.33 109.271 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 91.28 -8.44 79.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.563 1.165 . . . . 74.42 111.014 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.447 ' N ' ' OG ' ' A' ' 129' ' ' SER . 28.1 t -52.34 -87.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.761 . . . . 73.04 110.013 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.538 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 156.46 -22.19 0.49 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 63.03 111.023 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.414 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 12.5 mt-10 -124.11 172.47 8.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 64.23 110.327 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.693 HD11 HD23 ' A' ' 105' ' ' LEU . 7.0 pt -139.1 125.23 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 74.43 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.524 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -90.6 -176.98 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 64.2 109.253 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.587 HD12 HD12 ' A' ' 85' ' ' LEU . 2.7 tp -54.9 -18.36 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 75.43 109.268 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.57 ' OE1' HG23 ' A' ' 137' ' ' ILE . 4.5 mm100 -90.08 -56.44 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 71.44 110.253 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.682 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 25.6 mt-30 -62.67 -54.88 32.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.15 110.353 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.433 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 23.3 t80 -44.21 -47.34 9.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 75.32 110.984 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 1.079 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -62.54 -31.46 72.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.24 109.283 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -51.2 -33.52 27.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 73.22 109.279 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.413 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.9 mt -63.43 -59.09 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.22 109.302 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.697 ' N ' HD23 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -58.05 -17.26 16.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 70.33 109.325 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 62.25 109.994 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 455' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 458' ' ' LEU . 65.2 mmt-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.289 -0.263 . . . . 74.45 110.289 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.423 ' HZ1' ' HG3' ' A' ' 11' ' ' GLU . 13.6 ptmt -54.39 -22.29 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 75.15 109.296 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -90.93 -23.88 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 33.31 109.297 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.736 HD11 ' HE1' ' A' ' 124' ' ' MET . 0.5 OUTLIER -73.19 -55.28 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 71.05 109.346 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.677 ' O ' HD13 ' A' ' 463' ' ' LEU . 3.0 ptp180 -62.24 -33.23 74.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 74.13 110.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 460' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -57.36 -37.18 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 35.24 109.343 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.807 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.69 -29.3 52.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 74.43 109.247 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.849 HG23 ' CE1' ' A' ' 92' ' ' PHE . 14.7 mt -89.52 -31.11 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 75.33 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 459' ' ' ARG . 9.7 mp -50.27 -60.97 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.13 109.322 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.882 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -50.32 -55.67 14.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 72.01 109.341 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 0.996 HG23 HD13 ' A' ' 39' ' ' LEU . 28.7 mt -49.58 -23.0 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.13 109.333 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 463' ' ' LEU . . . -86.7 -62.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 71.15 109.33 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.43 ' HZ3' ' HG ' ' A' ' 463' ' ' LEU . 0.2 OUTLIER -57.51 -67.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 63.04 109.321 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.543 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 82.9 t -38.96 -34.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 63.22 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -60.5 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.23 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -26.72 38.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.42 110.303 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.623 ' SD ' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -58.06 -25.2 60.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 64.42 111.029 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.654 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 38.1 t80 -88.84 -21.35 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 74.15 111.01 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 31.2 m -95.48 -1.94 49.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.33 109.978 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 471' ' ' MET . 12.0 p -107.65 -46.58 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 54.14 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.982 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.09 -35.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 40.43 109.359 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 70.03 110.345 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.449 -0.204 . . . . 71.41 110.449 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.05 -25.52 21.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 64.54 110.256 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -78.3 -27.18 47.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 73.13 110.321 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -77.27 -35.53 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 64.43 110.271 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.148 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.9 mm -63.42 -20.72 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 75.33 109.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.91 -12.74 60.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 61.43 109.289 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 22.1 mt-10 -85.08 -68.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 74.24 110.28 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -41.54 -27.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 75.1 110.974 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 3.8 mtmt -48.58 -47.93 39.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 72.4 109.297 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.448 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 20.2 mm-40 -55.55 -34.7 64.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 71.04 110.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.778 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -74.56 -19.01 60.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 51.3 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.6 t80 -81.44 -41.64 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 63.01 110.965 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -24.51 62.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 64.23 109.272 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.896 HD21 ' HG2' ' A' ' 461' ' ' LYS . 63.5 mt -45.95 -42.67 13.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 72.51 109.279 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.63 ' HZ ' HG21 ' A' ' 468' ' ' VAL . 2.1 m-85 -109.19 -47.14 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 73.02 111.017 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -54.79 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 73.23 109.301 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.671 ' HE3' HG21 ' A' ' 34' ' ' THR . 8.0 mmtp -65.65 -67.21 0.46 Allowed 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 123.63 1.681 . . . . 70.52 109.313 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -75.14 -10.89 59.89 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.904 -1.046 . . . . 61.13 109.968 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 56.75 56.9 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 72.44 109.306 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 10.7 p30 -89.83 -21.24 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 70.31 109.284 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 106.96 34.3 3.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 52.32 111.024 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.73 112.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 74.4 109.99 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.616 HD13 ' CD1' ' A' ' 19' ' ' PHE . 96.2 mt -92.01 101.77 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 70.34 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.436 ' C ' ' HE1' ' A' ' 52' ' ' MET . 2.3 p -67.05 177.65 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 71.23 110.028 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.495 ' N ' ' HE1' ' A' ' 52' ' ' MET . 13.0 t -68.12 -35.36 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 71.13 110.015 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -22.25 61.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 71.44 109.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 34' ' ' THR . 57.7 mt-10 -90.6 -35.29 15.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 61.12 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.985 HD22 HG13 ' A' ' 48' ' ' VAL . 1.7 tt -72.55 -49.13 34.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 71.4 109.349 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.507 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -70.72 -12.49 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.05 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.671 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -69.74 -25.11 63.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 62.13 110.381 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.549 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -91.48 -60.59 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 71.31 109.25 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.548 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 91.8 mtp -38.22 -54.26 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 73.41 111.02 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 38' ' ' SER . 9.7 ptm180 -58.19 -40.58 81.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.24 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' VAL . 6.5 p -59.11 -27.63 65.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 75.13 109.969 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.111 HD13 HG23 ' A' ' 465' ' ' ILE . 9.8 mt -79.42 -17.82 53.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 71.05 109.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.32 11.57 8.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 33.51 111.016 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.487 HD13 ' HE2' ' A' ' 36' ' ' MET . 16.7 mt -89.4 -176.96 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 64.31 109.291 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.453 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 44.4 t -164.32 61.5 0.9 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 64.44 109.985 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 146.79 33.23 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.78 . . . . 44.32 111.015 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 m -87.6 140.42 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 64.12 109.978 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 51.5 tt0 -48.45 -27.93 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 73.14 110.293 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.14 -49.23 76.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 64.43 109.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.5 mt-10 -75.85 -51.21 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 71.32 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.985 HG13 HD22 ' A' ' 32' ' ' LEU . 55.6 t -40.81 -37.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 61.31 109.257 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 93.0 m-20 -63.94 -63.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 73.4 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -14.26 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 73.42 109.264 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.756 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.5 tm? -78.66 -53.79 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 72.34 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.556 ' HB3' HD13 ' A' ' 32' ' ' LEU . 7.0 ptm -80.29 -14.39 58.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 72.35 110.974 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -86.6 -8.06 57.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 72.43 109.31 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.576 ' C ' HD13 ' A' ' 55' ' ' ILE . 5.2 mm-40 -84.75 -12.95 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 71.45 110.27 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.628 HG21 ' HB2' ' A' ' 71' ' ' LEU . 2.4 mm -117.57 -39.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 53.44 109.343 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.4 t0 -37.85 121.32 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 44.42 109.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -81.8 -24.72 9.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 CA-C-O 123.625 1.679 . . . . 75.12 109.298 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.6 p30 -109.06 -6.38 15.66 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.902 -1.047 . . . . 74.24 109.99 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 55.9 42.52 86.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 71.45 111.041 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.1 p-10 -92.81 13.65 19.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 74.45 109.267 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.652 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 10.6 t-80 65.8 31.67 9.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 72.44 109.61 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.452 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 48.1 mt-30 -154.64 158.54 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 73.42 110.247 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.507 HG22 ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -110.68 125.16 67.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 71.42 109.297 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -90.53 -175.9 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 62.15 110.325 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 1.148 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 7.1 t80 -82.52 -10.66 58.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 52.02 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 3.2 m -96.65 -29.36 13.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 42.55 109.991 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -86.0 -53.19 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 74.14 110.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' HB2' HG22 ' A' ' 63' ' ' ILE . 87.7 t80 -55.59 -44.6 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 72.14 111.025 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.088 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.08 -24.03 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.42 109.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.088 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -84.55 -15.38 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 65.14 109.293 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.715 HD21 ' SD ' ' A' ' 471' ' ' MET . 48.6 tp -72.97 -50.41 23.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 73.11 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -61.25 -12.92 15.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 71.23 110.963 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 p -115.23 1.2 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.52 110.039 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.15 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.834 ' HB3' HD11 ' A' ' 137' ' ' ILE . 8.3 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.294 -0.632 . . . . 61.52 109.294 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.01 -36.86 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 60.03 109.33 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.632 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.1 mm-40 -65.62 -58.09 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 71.12 110.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.928 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -65.58 -18.54 65.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 75.31 109.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.477 ' HA ' HD11 ' A' ' 100' ' ' ILE . 11.7 t80 -76.06 -63.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 74.55 111.019 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -63.43 -34.84 78.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 71.42 109.316 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 87' ' ' GLU . 12.3 t -57.98 -53.77 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 74.4 109.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.977 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.1 m-85 -64.69 -39.72 94.15 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 123.597 1.665 . . . . 75.05 110.97 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.09 98.03 2.03 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.925 -1.036 . . . . 72.35 109.995 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.667 ' HE2' ' HE1' ' A' ' 107' ' ' HIS . 3.5 mmtt -84.06 -32.88 24.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 72.13 109.288 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.442 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -76.31 -43.6 40.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 73.1 109.323 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.42 79.71 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 72.01 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.638 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -141.19 12.31 2.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 72.42 109.267 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.858 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 68.65 19.5 73.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 71.23 111.009 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.858 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.6 mt -150.01 111.02 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 73.41 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.558 HD13 ' CB ' ' A' ' 92' ' ' PHE . 63.6 mt -78.31 105.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 70.23 109.326 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.8 t -73.94 176.3 6.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 41.34 109.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.695 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -45.44 -71.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 62.45 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -40.61 -66.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 70.42 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.409 ' CB ' HG23 ' A' ' 100' ' ' ILE . 40.5 mt-10 -38.41 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 70.52 110.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.886 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -94.34 -73.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 63.33 109.311 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.531 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -45.78 -56.32 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 72.42 109.312 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.816 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.9 -38.86 11.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 73.42 109.601 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.977 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.7 t -70.65 -55.22 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 73.25 109.241 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 458' ' ' LEU . 2.7 mt -51.58 -29.94 19.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 74.14 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.3 m -80.69 -25.98 37.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 41.43 110.385 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -67.19 -11.19 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 74.33 110.024 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.031 HG21 HD11 ' A' ' 465' ' ' ILE . 12.6 pt -112.23 -32.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 71.23 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.31 -36.94 0.86 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 25.22 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 109' ' ' LEU . 36.6 mm-40 -56.11 114.45 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 0.744 . . . . 72.52 110.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -105.05 103.37 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 72.32 109.326 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -110.58 121.9 46.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 73.1 109.282 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.428 ' N ' ' HB2' ' A' ' 120' ' ' GLU . 25.8 p -63.72 160.36 17.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 62.11 110.42 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -24.73 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 75.23 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.59 -19.92 24.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 70.51 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.657 ' HB3' HD13 ' A' ' 116' ' ' LEU . 5.2 mm-40 -81.03 -57.73 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 71.52 110.335 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.695 ' CG1' ' HB1' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -61.28 -50.41 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 63.44 109.328 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.762 ' HA ' HD12 ' A' ' 125' ' ' LEU . 4.5 t0 -51.5 -23.75 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 74.12 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.73 -37.04 13.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 74.1 109.283 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.425 ' O ' ' CG ' ' A' ' 127' ' ' GLU . 0.5 OUTLIER -63.96 -34.46 78.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 75.21 110.976 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 122' ' ' ASP . 4.2 mt -62.1 -53.59 53.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 52.43 109.274 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 125' ' ' LEU . 45.2 mtt180 -36.96 -31.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 61.41 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 7.7 mm-40 -46.53 -50.66 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 72.1 110.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.475 ' CG2' ' CD1' ' A' ' 143' ' ' LEU . 20.9 m -131.85 14.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 41.03 109.268 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.2 p -101.07 10.87 40.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 62.21 109.994 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' SER . 66.0 t0 38.29 47.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.03 109.326 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 52.28 47.45 55.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 73.3 111.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' SER . 43.0 t -107.27 -77.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 74.4 109.967 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 152.33 -19.29 0.82 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.149 . . . . 71.33 111.006 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.421 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 22.4 mt-10 -127.46 174.34 9.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 71.34 110.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.886 HD11 ' CD1' ' A' ' 105' ' ' LEU . 6.3 pt -146.97 127.69 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 75.31 109.342 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.494 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -96.95 170.54 9.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 61.24 109.256 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.834 HD11 ' HB3' ' A' ' 85' ' ' LEU . 6.7 tp -39.36 -30.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 71.05 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 136' ' ' ASN . 3.3 mm-40 -75.68 -59.58 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 72.45 110.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.716 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 40.4 mt-30 -66.76 -57.18 7.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.41 110.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.468 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 64.2 t80 -41.54 -50.96 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 74.43 111.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 145' ' ' SER . . . -63.1 -34.42 77.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 53.24 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -44.95 -27.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 63.14 109.359 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.475 ' CD1' ' CG2' ' A' ' 128' ' ' VAL . 1.1 mt -82.92 -42.63 17.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 73.44 109.304 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.481 HD12 HD23 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -87.36 11.98 13.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 63.42 109.284 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 141' ' ' ALA . 45.9 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 54.32 109.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.294 -0.261 . . . . 73.21 110.294 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.542 ' HB2' HH21 ' A' ' 459' ' ' ARG . 0.0 OUTLIER -59.85 -27.97 67.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 74.03 109.332 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 457' ' ' ALA . . . . . 0.448 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -85.33 -16.15 40.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 45.11 109.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -67.86 -50.66 55.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 73.41 109.28 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' A' ' 456' ' ' LYS . 1.7 ptp180 -60.45 -41.57 94.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 74.51 110.315 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.591 ' HA ' HD12 ' A' ' 463' ' ' LEU . 6.9 t30 -56.91 -38.88 73.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 72.11 109.334 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.896 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -60.33 -25.67 65.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.13 109.308 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.836 HG23 ' CE1' ' A' ' 92' ' ' PHE . 23.7 mt -88.59 -33.49 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 61.12 109.262 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 460' ' ' ASN . 96.3 mt -49.96 -62.08 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 61.21 109.263 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.778 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -48.96 -58.31 5.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 73.3 109.334 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.111 HG23 HD13 ' A' ' 39' ' ' LEU . 19.5 mt -40.42 -32.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 71.54 109.255 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.928 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.67 -72.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 74.21 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.459 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 8.3 mtpp -40.87 -67.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.3 109.29 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.63 HG21 ' HZ ' ' A' ' 19' ' ' PHE . 90.7 t -38.7 -35.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 73.23 109.291 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 466' ' ' ALA . 3.0 t -73.83 -51.51 16.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 71.32 110.029 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -52.86 -41.59 64.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 74.31 110.297 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.715 ' SD ' HD21 ' A' ' 71' ' ' LEU . 10.4 mtm -51.44 -24.29 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 73.35 110.975 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.548 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 28.7 t80 -88.9 -25.06 22.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 75.31 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.93 -6.31 51.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 64.4 110.044 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 471' ' ' MET . 8.9 p -102.99 -48.96 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 70.32 109.282 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.459 ' N ' HG13 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -39.59 -36.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 75.34 109.307 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 75.14 110.271 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.481 HG23 ' OE1' ' A' ' 8' ' ' GLN . 4.6 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.432 -0.21 . . . . 74.31 110.432 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -56.63 -20.8 23.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 65.33 110.329 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -77.04 -26.08 53.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 73.34 110.277 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.481 ' OE1' HG23 ' A' ' 5' ' ' THR . 2.3 mt-30 -84.08 -38.06 21.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 74.05 110.274 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.066 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 2.0 mm -59.64 -31.74 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 73.35 109.282 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.08 -16.53 63.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 74.41 109.278 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 65.2 mt-10 -74.94 -71.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 55.4 110.269 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.503 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 47.9 m-85 -43.95 -26.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 63.14 111.012 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 19.5 mttt -49.07 -46.19 44.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 73.44 109.284 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -60.84 -49.78 76.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 71.33 110.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.743 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -59.63 -18.29 40.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 64.21 109.294 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CZ ' ' C ' ' A' ' 64' ' ' GLU . 1.7 t80 -81.97 -41.6 20.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 74.41 111.014 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -21.23 59.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 70.02 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.742 HD21 ' HG3' ' A' ' 461' ' ' LYS . 64.8 mt -49.95 -41.18 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 72.11 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.643 ' HZ ' HG21 ' A' ' 468' ' ' VAL . 3.3 m-85 -110.36 -49.98 3.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.34 110.932 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -54.54 90.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 61.44 109.298 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.504 ' HE3' HG21 ' A' ' 34' ' ' THR . 58.6 mmtt -69.45 -66.92 0.52 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 123.595 1.664 . . . . 61.4 109.283 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.2 p30 -74.76 -17.01 60.7 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.884 -1.055 . . . . 63.1 110.016 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 63.06 65.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.15 109.288 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 35.1 p30 -99.44 -7.92 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 74.5 109.271 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.8 33.03 8.09 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 50.32 110.97 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.72 110.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 63.11 109.998 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' A' ' 19' ' ' PHE . 94.5 mt -91.21 102.37 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 52.31 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.22 159.01 35.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 73.3 110.029 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.5 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 6.4 t -54.81 -18.87 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 73.54 110.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -29.81 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 73.05 110.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 34' ' ' THR . 31.3 mt-10 -90.13 -28.01 19.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 73.14 110.273 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.965 HD22 HG13 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -74.24 -51.91 13.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 72.23 109.306 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.648 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -67.68 -12.36 60.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 74.04 109.294 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.504 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -69.55 -30.46 68.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 63.32 110.419 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.512 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.1 t -83.63 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 72.23 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.542 ' SD ' HD13 ' A' ' 41' ' ' LEU . 49.6 mmm -38.22 -53.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 61.13 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 38' ' ' SER . 8.9 ptm180 -59.18 -43.56 92.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 75.21 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.434 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.8 m -55.7 -35.03 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 72.15 110.003 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.051 HD13 HG23 ' A' ' 465' ' ' ILE . 21.1 mt -72.0 -22.59 61.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 75.52 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.85 2.88 8.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 63.31 110.95 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.542 HD13 ' SD ' ' A' ' 36' ' ' MET . 24.8 mt -79.09 -172.13 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 71.04 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 93.1 p -164.26 61.82 0.94 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 53.41 109.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.1 Cg_endo -75.05 152.92 41.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 43.43 110.957 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -102.96 140.42 37.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 61.0 109.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 22.1 tt0 -48.22 -28.21 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 75.45 110.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.59 -50.21 74.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 35.41 109.308 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.878 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.5 mt-10 -77.36 -51.83 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 72.43 110.286 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.965 HG13 HD22 ' A' ' 32' ' ' LEU . 53.1 t -40.47 -31.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 74.4 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 79.7 m-20 -65.64 -65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 70.43 109.288 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.0 -17.84 11.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 73.24 109.253 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 471' ' ' MET . 0.7 OUTLIER -76.56 -56.19 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.02 109.309 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 61' ' ' HIS . 0.9 OUTLIER -74.78 -16.68 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.11 111.025 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -84.86 -7.96 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 72.33 109.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.486 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.6 mm-40 -84.23 -13.94 51.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 53.3 110.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.835 HG13 HD22 ' A' ' 71' ' ' LEU . 2.1 mm -117.78 -39.68 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 65.45 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 4.8 t0 -37.57 119.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 73.43 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.515 HG23 ' HG2' ' A' ' 67' ' ' GLU . 72.0 t -94.12 -7.74 10.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-O 123.599 1.666 . . . . 61.51 109.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 49.5 p-10 -121.97 -10.79 8.59 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 117.935 -1.031 . . . . 75.11 110.002 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 62.73 36.63 93.57 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 71.12 111.001 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 32.3 p-10 -92.8 27.34 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 44.51 109.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.601 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 17.6 t-80 45.58 40.87 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 72.42 109.616 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 40.4 mt-30 -160.54 164.37 32.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 54.43 110.291 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.86 125.03 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 65.45 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.478 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -88.9 172.57 9.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 72.25 110.295 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 1.066 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.0 t80 -72.6 -12.34 61.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 71.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 m -93.68 -46.39 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 74.14 109.986 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 57' ' ' VAL . 14.5 mt-10 -65.81 -51.42 59.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 73.32 110.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.415 ' HE2' ' HB3' ' A' ' 15' ' ' ALA . 90.9 t80 -54.75 -42.72 72.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 72.04 110.964 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.769 HD22 HG23 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -70.09 -32.3 70.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 62.43 109.3 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -72.91 -16.74 61.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 74.02 109.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.952 HD21 ' SD ' ' A' ' 471' ' ' MET . 7.2 tp -73.9 -53.66 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 64.14 109.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -56.12 -47.48 78.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 74.51 110.967 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.3 t -71.3 -15.88 62.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 63.15 110.026 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 4.0 ttt-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 73.53 110.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.061 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.299 -0.63 . . . . 42.13 109.299 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 87' ' ' GLU . 3.7 pp -54.98 -43.36 73.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 72.22 109.299 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.463 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 23.5 mm-40 -59.17 -38.02 78.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 74.33 110.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -90.91 -8.79 48.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 73.05 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 85' ' ' LEU . 18.0 t80 -78.37 -59.82 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 62.13 110.955 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -40.41 97.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.32 109.311 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -54.56 -51.0 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 63.24 109.269 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.941 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.0 m-85 -67.44 -44.98 77.39 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 123.613 1.673 . . . . 75.34 110.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -70.91 98.87 1.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.881 -1.057 . . . . 74.13 109.972 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HE2' ' HE1' ' A' ' 107' ' ' HIS . 5.9 mmtt -84.97 -32.74 22.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 71.44 109.242 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -76.47 -44.23 36.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 52.34 109.317 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.59 78.5 1.18 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 52.14 111.032 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.576 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.37 11.59 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 73.34 109.367 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.858 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.22 18.41 74.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 53.33 110.973 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.858 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -150.55 110.8 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 74.1 109.265 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.586 HD13 ' CB ' ' A' ' 92' ' ' PHE . 67.4 mt -73.1 99.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 75.41 109.287 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.9 p -63.75 168.66 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.12 110.026 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.598 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -42.73 -69.78 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 64.51 109.345 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.45 -66.59 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 75.1 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 92' ' ' PHE . 40.2 mt-10 -38.91 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 74.4 110.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.827 HD12 ' HE2' ' A' ' 92' ' ' PHE . 40.8 tp -91.2 -73.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 64.3 109.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.897 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -46.01 -65.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 73.42 109.323 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.491 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -39.93 -46.32 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 55.33 109.603 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.941 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -60.4 -44.25 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 73.12 109.261 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 106' ' ' LYS . 1.5 mm? -67.37 -26.2 66.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 62.21 109.28 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.0 m -81.63 -27.54 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 65.41 110.375 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.435 ' OG ' ' HA ' ' A' ' 108' ' ' VAL . 0.1 OUTLIER -70.47 -6.71 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 51.54 110.011 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.861 HG21 HD11 ' A' ' 465' ' ' ILE . 14.4 pt -113.38 -32.2 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 72.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.5 -34.91 0.82 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 72.52 111.039 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.706 ' HG3' ' HZ2' ' A' ' 461' ' ' LYS . 3.9 mt-10 -64.82 104.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 63.35 110.29 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -105.87 104.64 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 73.24 109.285 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 120' ' ' GLU . 4.6 mp -112.39 143.66 43.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.34 109.287 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' GLU . 30.3 p -71.42 150.79 44.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 62.42 110.409 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.06 -26.2 6.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 65.51 109.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.3 -32.95 26.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 73.33 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.54 ' HB3' HD23 ' A' ' 116' ' ' LEU . 24.7 mm-40 -67.97 -43.79 78.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 75.33 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.897 HG21 ' HG2' ' A' ' 106' ' ' LYS . 6.4 p -69.08 -50.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 52.35 109.306 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.519 ' HA ' HD12 ' A' ' 125' ' ' LEU . 19.7 t0 -48.35 -23.55 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 73.15 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 121' ' ' VAL . 2.2 t70 -91.08 -34.0 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 55.11 109.311 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.528 ' HE3' HD22 ' A' ' 116' ' ' LEU . 22.0 ttm -66.49 -37.42 85.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 71.12 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 102' ' ' ALA . 8.6 mt -61.45 -56.16 23.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.21 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 125' ' ' LEU . 22.2 mtt-85 -37.61 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 74.51 110.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 124' ' ' MET . 25.5 mm-40 -47.36 -50.12 22.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 62.01 110.346 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.433 HG11 ' CB ' ' A' ' 142' ' ' ALA . 32.5 m -131.58 13.02 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 64.04 109.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.1 p -99.44 6.67 45.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 65.4 109.979 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 129' ' ' SER . 47.9 t0 39.79 41.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 74.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 59.32 46.93 93.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.114 . . . . 51.33 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' SER . 29.6 t -103.72 -75.53 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 71.22 110.009 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.05 -16.38 1.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 72.13 111.045 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -139.71 156.54 46.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 73.31 110.266 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.579 HG22 ' HB3' ' A' ' 139' ' ' GLN . 2.2 pt -122.29 121.7 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 73.43 109.322 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.637 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -81.07 -172.17 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 64.55 109.296 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.48 HD13 ' CG ' ' A' ' 89' ' ' PHE . 10.8 tp -60.82 -25.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 74.34 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.42 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 8.2 mm100 -82.87 -57.47 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 73.42 110.269 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.636 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 63.0 mt-30 -58.38 -53.84 53.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 53.35 110.269 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 136' ' ' ASN . 7.8 t80 -46.25 -42.48 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 63.03 111.048 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 1.061 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -66.25 -30.61 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 73.24 109.339 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -49.6 -33.7 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 75.01 109.286 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.52 -49.67 57.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 74.04 109.342 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.772 ' N ' HD23 ' A' ' 144' ' ' LEU . 1.3 mt -61.23 -15.5 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.34 109.272 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 62.02 110.002 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.285 -0.265 . . . . 72.43 110.285 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -22.18 63.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 62.24 109.348 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -89.49 -16.17 31.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 70.53 109.338 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.9 OUTLIER -66.02 -46.33 78.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 71.34 109.325 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -74.99 -31.79 61.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 74.21 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.614 ' HA ' HD12 ' A' ' 463' ' ' LEU . 11.2 t30 -60.37 -41.82 94.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 75.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.742 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -52.72 -29.46 27.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 65.41 109.293 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.628 HG23 ' CE1' ' A' ' 92' ' ' PHE . 9.0 mt -89.46 -30.33 5.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 63.35 109.261 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 460' ' ' ASN . 67.8 mt -50.4 -45.99 55.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 74.02 109.242 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.743 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -69.7 -63.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 54.54 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.051 HG23 HD13 ' A' ' 39' ' ' LEU . 65.4 mt -41.85 -29.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 65.32 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.534 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -79.77 -58.58 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 62.02 109.304 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 469' ' ' SER . 1.8 mttp -63.22 -66.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 72.11 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.643 HG21 ' HZ ' ' A' ' 19' ' ' PHE . 96.7 t -39.2 -30.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 53.21 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 467' ' ' LYS . 5.5 t -76.51 -64.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 70.34 110.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.3 OUTLIER -46.08 -50.9 14.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 75.44 110.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.952 ' SD ' HD21 ' A' ' 71' ' ' LEU . 6.6 mtp -38.68 -34.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 74.34 110.966 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.545 ' CD1' HD23 ' A' ' 475' ' ' LEU . 46.7 t80 -78.91 -40.28 32.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 72.31 110.981 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 470' ' ' ARG . 48.4 t -68.6 -8.48 42.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 62.32 109.961 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.46 HG12 ' C ' ' A' ' 471' ' ' MET . 7.1 p -109.79 -42.25 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 61.15 109.316 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.878 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.54 -29.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 63.43 109.336 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 476' ' ' ARG . . . . . 0.426 ' N ' ' C ' ' A' ' 474' ' ' VAL . 3.4 tmt_? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 64.11 110.301 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.3 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.386 -0.227 . . . . 64.34 110.386 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.03 -33.14 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 62.33 110.27 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -70.88 -36.01 72.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 72.53 110.299 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' THR . 11.3 mm100 -72.22 -28.95 63.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 71.44 110.329 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.714 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 3.2 mm -67.06 -20.48 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 72.45 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.06 -12.56 57.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 53.21 109.277 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.403 ' OE2' ' CD ' ' A' ' 8' ' ' GLN . 45.3 mt-10 -76.05 -68.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 73.23 110.278 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.499 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 31.0 m-85 -44.02 -25.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 71.43 110.94 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -55.45 -46.47 76.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 74.41 109.353 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.455 ' HB3' ' CD ' ' A' ' 461' ' ' LYS . 6.7 mm-40 -63.52 -46.25 86.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 52.05 110.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.72 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -65.88 -15.33 62.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 75.23 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.0 t80 -80.6 -40.54 25.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 61.21 111.029 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -21.71 62.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 53.1 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.019 HD21 ' HG3' ' A' ' 461' ' ' LYS . 58.4 mt -48.25 -41.46 27.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 42.4 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.873 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 6.5 m-85 -110.38 -40.77 4.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 74.52 111.023 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -63.47 83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 73.41 109.314 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HE3' HG21 ' A' ' 34' ' ' THR . 56.1 mmtt -59.45 -67.15 0.41 Allowed 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 123.583 1.658 . . . . 73.02 109.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 2.7 p30 -77.69 -22.66 50.18 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.917 -1.04 . . . . 72.32 109.978 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER 72.02 64.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 72.4 109.3 -179.757 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -100.68 5.02 43.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 71.3 109.312 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.92 34.26 38.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 51.24 111.044 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.59 112.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 73.13 109.976 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 19' ' ' PHE . 64.9 mt -93.71 99.78 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 63.45 109.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -66.49 -179.31 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 75.41 109.997 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.415 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 5.2 t -69.07 -39.92 78.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 72.24 109.985 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -20.55 66.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 61.34 110.015 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.651 ' O ' HG22 ' A' ' 34' ' ' THR . 41.5 mt-10 -90.59 -45.71 8.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 74.12 110.296 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.029 HD22 HG13 ' A' ' 48' ' ' VAL . 2.3 tt -61.87 -48.21 81.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 63.35 109.242 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -68.8 -11.94 60.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 41.33 109.347 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -70.26 -29.25 65.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 75.24 110.395 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.2 t -91.61 -60.62 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 71.32 109.295 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.593 ' HE1' ' HB2' ' A' ' 472' ' ' PHE . 82.2 mtp -41.35 -47.01 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 44.41 110.975 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' SER . 8.8 ptm180 -63.05 -40.42 97.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 70.15 110.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.425 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 22.1 m -61.21 -33.42 73.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 72.11 110.012 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.607 ' CD1' HG23 ' A' ' 465' ' ' ILE . 25.3 mt -70.7 -22.57 62.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 72.54 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.5 4.59 8.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 71.11 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.556 HD13 ' HE2' ' A' ' 36' ' ' MET . 17.3 mt -83.26 -177.53 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 72.1 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.474 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 6.3 t -163.53 60.57 0.92 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 74.3 109.974 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.541 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.2 Cg_endo -75.01 117.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 61.21 111.031 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 m -58.59 140.02 54.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 45.23 109.981 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 27.3 tt0 -46.52 -27.88 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 75.5 110.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.73 76.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 61.41 109.28 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HB3' HD21 ' A' ' 475' ' ' LEU . 3.0 mt-10 -75.25 -49.72 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 62.21 110.309 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.029 HG13 HD22 ' A' ' 32' ' ' LEU . 55.2 t -40.41 -30.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 72.3 109.264 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.463 ' OD1' ' CE1' ' A' ' 61' ' ' HIS . 73.5 m-20 -72.9 -66.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 53.12 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.639 ' HB3' HD13 ' A' ' 475' ' ' LEU . 0.2 OUTLIER -53.11 -18.6 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 61.02 109.302 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.758 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.6 tm? -79.22 -53.62 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 73.12 109.321 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.448 ' HB3' HD13 ' A' ' 32' ' ' LEU . 15.1 ptm -80.28 -6.26 57.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 61.11 110.986 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.4 m120 -92.38 -7.99 46.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 75.42 109.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.722 ' C ' HD13 ' A' ' 55' ' ' ILE . 6.4 mm-40 -89.04 -8.25 54.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 54.24 110.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.722 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.8 mm -117.51 -45.75 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 51.23 109.367 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 3.3 t0 -38.96 120.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 72.55 109.318 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.76 -15.62 12.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-O 123.6 1.667 . . . . 62.13 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 48.2 p-10 -118.76 -7.7 10.46 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.88 -1.057 . . . . 62.0 109.975 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.8 41.43 94.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 73.35 111.022 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.451 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.4 p-10 -89.9 17.65 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 72.52 109.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.644 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 50.5 t60 59.87 30.91 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 72.53 109.583 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 47.6 mt-30 -156.09 149.56 24.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.43 110.268 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -104.28 127.26 58.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 64.32 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -90.66 171.1 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 73.13 110.302 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.714 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 2.4 t80 -70.63 -12.69 61.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 65.15 110.987 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.5 t -92.36 -47.53 7.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 71.44 110.017 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.35 -51.36 61.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 63.52 110.28 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.84 -44.46 73.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 63.34 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.735 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.96 -33.29 73.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 74.31 109.316 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -71.28 -24.38 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 53.04 109.294 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.7 HD21 ' SD ' ' A' ' 471' ' ' MET . 27.5 tp -64.74 -50.56 66.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 63.44 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -58.26 -14.1 6.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 73.21 111.025 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.3 t -130.76 30.01 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 73.13 110.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 70.33 110.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.872 HD22 HD12 ' A' ' 144' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.29 -0.633 . . . . 74.41 109.29 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 86' ' ' LEU . 1.9 pp -74.13 -29.34 61.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 73.23 109.311 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.632 ' HB2' ' HB1' ' A' ' 466' ' ' ALA . 90.4 mt-10 -69.61 -34.41 74.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 74.13 110.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -91.09 -10.42 42.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 64.44 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.463 ' HA ' HD11 ' A' ' 100' ' ' ILE . 33.2 t80 -75.21 -60.49 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 75.52 111.017 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 5.5 ptpt -63.39 -43.04 98.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 73.02 109.309 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.521 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -51.46 -50.85 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 64.43 109.334 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.927 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.3 m-85 -68.32 -44.42 75.42 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 123.65 1.69 . . . . 64.11 110.997 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -72.01 98.7 2.12 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.862 -1.066 . . . . 74.41 110.011 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -29.87 20.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.4 109.326 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -77.13 -49.86 14.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 54.3 109.256 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 91.15 68.49 1.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.108 . . . . 62.21 111.004 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.559 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -126.35 1.43 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 74.11 109.244 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.808 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 81.46 13.55 80.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.094 . . . . 72.1 111.034 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.808 HD23 ' O ' ' A' ' 98' ' ' GLY . 1.5 mt -148.57 114.44 5.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 62.32 109.283 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.615 HD13 ' CB ' ' A' ' 92' ' ' PHE . 65.8 mt -74.61 102.72 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 72.33 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.1 p -66.92 175.86 2.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 73.12 109.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 125' ' ' LEU . . . -48.56 -69.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 72.32 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.481 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -41.49 -66.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 44.11 109.315 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ALA . 40.2 mt-10 -37.96 -30.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 75.11 110.257 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.858 HD23 HG23 ' A' ' 121' ' ' VAL . 1.5 tp -88.75 -72.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 74.25 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.85 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -47.25 -63.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 70.04 109.321 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.523 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -39.5 -42.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 71.43 109.612 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.927 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.2 t -67.11 -47.28 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 73.24 109.315 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 106' ' ' LYS . 3.0 mm? -57.13 -35.6 69.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 73.31 109.258 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.8 m -82.09 -13.78 56.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 63.41 110.355 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -3.72 57.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 73.12 109.976 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.874 HG21 HD11 ' A' ' 465' ' ' ILE . 10.8 pt -113.74 -33.3 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 74.35 109.278 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.74 -36.88 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 64.11 110.978 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 24.3 mm-40 -50.54 173.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 64.22 110.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 114' ' ' GLU . 21.3 mtpp -154.99 114.38 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 72.13 109.28 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 5.8 mt -131.77 130.44 41.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 64.22 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -67.85 159.4 30.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 71.32 110.388 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.449 ' HA ' HG12 ' A' ' 121' ' ' VAL . 0.6 OUTLIER -57.51 -29.7 64.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 72.31 109.273 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.07 -20.08 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 72.01 109.278 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 116' ' ' LEU . 6.0 mt-10 -86.16 -29.56 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 75.53 110.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.946 ' O ' HD22 ' A' ' 125' ' ' LEU . 9.6 p -83.93 -54.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 71.14 109.325 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.565 ' N ' HG13 ' A' ' 121' ' ' VAL . 14.4 t70 -47.46 -24.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.31 109.301 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 121' ' ' VAL . 6.2 t0 -91.23 -35.11 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 65.31 109.323 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 121' ' ' VAL . 21.7 ttm -55.68 -34.71 65.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 72.43 110.959 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.946 HD22 ' O ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -69.76 -55.08 10.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 51.45 109.266 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 125' ' ' LEU . 31.3 mtt180 -35.55 -33.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 73.14 110.286 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.0 mm-40 -43.61 -50.21 7.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 70.04 110.335 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 23.1 m -132.05 10.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 73.34 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.5 p -97.56 17.06 18.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 75.22 109.975 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.5 t0 40.77 45.11 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 71.41 109.266 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 57.48 43.14 94.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 72.5 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 129' ' ' SER . 30.9 t -103.61 -84.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 75.4 109.998 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.68 -24.28 0.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 73.11 110.987 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -120.4 156.75 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 74.32 110.358 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.614 HD11 HD13 ' A' ' 105' ' ' LEU . 4.7 pt -130.05 121.2 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 74.11 109.279 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.737 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -85.98 177.25 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 75.42 109.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.511 HG23 ' OE1' ' A' ' 138' ' ' GLN . 8.9 tp -51.07 -22.38 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 71.41 109.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.511 ' OE1' HG23 ' A' ' 137' ' ' ILE . 6.6 mm100 -85.62 -57.11 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 71.54 110.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.652 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 22.4 mt-30 -62.53 -57.3 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 72.22 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.61 ' CZ ' HD11 ' A' ' 144' ' ' LEU . 21.7 t80 -42.95 -50.61 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 74.1 110.996 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.833 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -53.31 -35.94 60.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 63.22 109.291 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -50.01 -34.08 20.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 60.52 109.263 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.436 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.4 mt -72.93 -43.98 61.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 61.33 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.872 HD12 HD22 ' A' ' 85' ' ' LEU . 11.0 mt -86.83 11.77 12.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 72.54 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 141' ' ' ALA . 22.9 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 45.2 109.979 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.32 -0.252 . . . . 74.12 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -23.24 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 72.32 109.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -88.55 -16.07 33.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 74.32 109.27 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.5 OUTLIER -68.85 -51.0 45.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 55.44 109.315 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.447 ' HB2' ' CD2' ' A' ' 144' ' ' LEU . 4.1 ptp180 -60.72 -38.18 84.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 74.34 110.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.873 ' HA ' HD22 ' A' ' 463' ' ' LEU . 3.5 t-20 -59.5 -45.38 91.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 73.34 109.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 1.019 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -44.38 -27.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 73.4 109.324 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.658 HG23 ' HE1' ' A' ' 92' ' ' PHE . 56.4 mt -89.33 -40.07 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 65.21 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.873 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.2 OUTLIER -41.08 -34.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 73.12 109.288 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.72 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -83.52 -47.61 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 70.02 109.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 0.874 HD11 HG21 ' A' ' 112' ' ' ILE . 58.3 mt -50.62 -22.57 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 75.42 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.27 -72.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 60.21 109.308 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 469' ' ' SER . 21.2 mttp -45.44 -65.04 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 74.51 109.25 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.873 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 95.7 t -38.72 -30.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 75.43 109.279 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.3 t -80.03 -68.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 60.21 109.979 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.531 ' CD ' ' CG2' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -43.12 -48.05 6.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 73.22 110.264 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.7 ' SD ' HD21 ' A' ' 71' ' ' LEU . 1.2 mtm -37.26 -40.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 65.42 111.001 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.673 ' HA ' HD23 ' A' ' 51' ' ' LEU . 7.3 t80 -56.55 -46.92 80.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 65.31 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 470' ' ' ARG . 1.0 OUTLIER -69.03 -31.81 70.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 61.22 110.002 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.531 ' CG2' ' CD ' ' A' ' 470' ' ' ARG . 40.5 t -66.74 -46.06 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 74.1 109.33 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -49.27 -36.95 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 73.04 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 60.45 110.285 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.2 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.379 -0.23 . . . . 64.41 110.379 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -45.98 -25.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 74.44 110.329 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 456' ' ' LYS . 6.4 tt0 -72.21 -39.95 68.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 64.15 110.276 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' THR . 10.9 mm100 -69.4 -36.83 77.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 54.23 110.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.558 ' N ' HD13 ' A' ' 9' ' ' ILE . 3.6 mm -59.47 -47.76 89.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 52.35 109.24 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.74 -18.42 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 73.4 109.265 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 9' ' ' ILE . 9.9 mm-40 -83.14 -72.32 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 62.32 110.346 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 15' ' ' ALA . 39.9 m-85 -51.05 -48.78 61.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 70.14 111.033 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -41.71 -39.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 52.4 109.325 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.865 ' OE2' ' HB1' ' A' ' 457' ' ' ALA . 69.1 mt-10 -69.45 -43.55 73.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 72.33 110.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -62.19 -20.13 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 73.53 109.293 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.597 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.9 t80 -76.18 -35.15 59.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 72.33 111.01 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.28 -23.65 66.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 31.42 109.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.927 HD21 ' HG3' ' A' ' 461' ' ' LYS . 59.8 mt -45.43 -39.57 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 61.44 109.293 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.707 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 16.8 m-85 -107.37 -56.26 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 75.24 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.597 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -46.78 95.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 72.55 109.328 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' PHE . 42.4 mmtt -68.36 -67.58 0.46 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 123.682 1.706 . . . . 74.01 109.281 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 22' ' ' ASP . 2.7 p30 -78.64 -2.52 39.45 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 117.874 -1.06 . . . . 71.32 109.978 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 48.47 62.59 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 55.25 109.325 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.8 p30 -93.0 -26.71 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 61.52 109.325 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 112.63 32.9 2.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 61.22 110.959 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.28 115.02 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 75.52 110.027 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.548 HD13 ' HB2' ' A' ' 19' ' ' PHE . 89.2 mt -93.98 100.24 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 70.41 109.323 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 p -64.89 168.61 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 62.13 110.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -67.93 -17.52 64.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 73.34 109.979 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -26.94 28.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 73.32 109.993 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' ' HB ' ' A' ' 34' ' ' THR . 45.4 mt-10 -90.66 -32.94 16.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.12 110.264 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.051 HD22 HG13 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -69.93 -51.32 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 54.14 109.325 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -68.11 -12.75 61.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 72.32 109.321 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -72.74 -26.19 61.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 73.31 110.397 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.668 HG11 ' CE2' ' A' ' 19' ' ' PHE . 1.6 t -86.45 -56.69 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 72.14 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.623 ' CE ' HD13 ' A' ' 41' ' ' LEU . 50.9 mmm -42.41 -50.58 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 53.43 110.982 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' SER . 7.6 ptm180 -62.86 -40.67 98.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 73.24 110.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 68.5 m -56.41 -19.19 13.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 62.42 110.011 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.052 HD13 HG23 ' A' ' 465' ' ' ILE . 19.4 mt -92.59 -21.8 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 73.12 109.354 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.74 3.2 8.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 74.14 111.049 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.623 HD13 ' CE ' ' A' ' 36' ' ' MET . 35.3 mt -80.29 -178.78 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 73.12 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.476 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.1 t -161.3 60.56 1.24 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.41 109.964 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 73.22 110.98 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.99 140.37 49.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 53.02 110.012 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -48.69 -28.25 3.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 73.23 110.351 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.9 -49.64 75.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 75.1 109.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HB3' HD21 ' A' ' 475' ' ' LEU . 4.1 mt-10 -74.86 -50.34 17.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 75.4 110.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.051 HG13 HD22 ' A' ' 32' ' ' LEU . 53.6 t -40.9 -37.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 33.34 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 92.6 m-20 -65.61 -62.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 71.23 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.46 -14.13 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 75.14 109.302 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.749 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.5 tm? -78.91 -54.51 5.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 73.11 109.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.496 ' CB ' HD11 ' A' ' 63' ' ' ILE . 7.3 ptm -79.55 -14.03 59.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 74.13 110.997 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 2.3 m120 -84.53 -8.03 59.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 72.33 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -88.75 -12.49 42.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 41.22 110.301 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.607 HG21 HD22 ' A' ' 71' ' ' LEU . 2.7 mm -116.53 -37.79 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.31 109.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.1 t0 -38.24 120.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.13 109.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 19.9 t -83.16 -21.04 9.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-O 123.593 1.664 . . . . 60.42 109.322 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.501 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 49.8 p30 -113.25 -5.78 13.61 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.912 -1.042 . . . . 54.44 110.011 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 55.62 42.97 85.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 72.12 111.005 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 33.6 p-10 -92.52 13.88 18.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 72.23 109.284 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.673 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 4.8 t-80 66.4 26.07 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 75.31 109.594 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 38.7 mt-30 -150.77 164.23 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 73.11 110.348 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.496 HD11 ' CB ' ' A' ' 52' ' ' MET . 0.2 OUTLIER -113.29 129.78 68.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 73.01 109.28 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.49 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -96.12 175.5 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 74.13 110.319 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.7 t80 -75.82 -12.32 60.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 70.31 110.991 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -92.35 -30.87 15.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 53.35 109.976 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 18.1 mt-10 -84.17 -52.22 6.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 71.12 110.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -54.17 -48.22 71.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 71.24 110.975 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -67.09 -32.44 73.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 60.35 109.336 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.17 -15.74 58.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 65.32 109.319 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.925 HD21 ' SD ' ' A' ' 471' ' ' MET . 9.6 tp -75.57 -44.26 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 72.35 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -61.6 -36.26 80.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 75.51 111.011 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 p -88.43 15.63 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 60.33 110.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 72.43 110.326 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.89 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.233 -0.654 . . . . 71.14 109.233 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -51.57 -38.24 53.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.41 109.236 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 29.9 mm-40 -69.93 -59.94 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 74.31 110.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.739 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -61.47 -13.86 24.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 70.24 109.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 85' ' ' LEU . 55.1 t80 -85.11 -42.07 15.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.32 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -84.53 -9.14 58.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 62.42 109.298 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -89.59 -45.08 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.23 109.292 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.886 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.1 m-85 -68.35 -41.78 80.22 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 123.614 1.674 . . . . 74.02 110.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -72.71 100.84 2.92 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.876 -1.059 . . . . 73.0 109.988 179.71 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.47 -35.03 23.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 75.13 109.276 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.455 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -73.36 -44.54 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 65.23 109.281 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.92 78.71 1.09 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 62.44 110.974 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.553 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -136.72 8.69 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 75.24 109.302 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.883 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 75.05 15.76 80.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 75.13 111.034 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 98' ' ' GLY . 1.1 mt -149.95 110.63 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 72.54 109.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.622 HD13 ' CB ' ' A' ' 92' ' ' PHE . 64.0 mt -73.82 96.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 63.53 109.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.8 t -59.9 174.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 62.34 109.98 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -50.53 -66.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 40.33 109.255 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.454 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -42.25 -65.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 54.52 109.314 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 24.3 mt-10 -39.18 -28.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 75.01 110.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.458 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -90.59 -72.86 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 72.11 109.324 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.741 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.25 -59.36 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 70.41 109.296 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.808 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.82 -38.38 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 73.2 109.602 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.886 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -72.84 -37.85 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 75.33 109.352 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.545 HD12 ' CB ' ' A' ' 114' ' ' GLU . 1.6 mm? -64.31 -36.01 82.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 73.41 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.441 HG23 ' HZ2' ' A' ' 115' ' ' LYS . 2.2 m -74.58 -32.34 62.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 51.23 110.388 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.446 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -60.21 -14.92 20.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.04 109.992 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.964 HG21 HD11 ' A' ' 465' ' ' ILE . 10.4 pt -109.55 -32.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 73.31 109.277 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.03 -40.12 0.76 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 65.15 111.06 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.545 ' CB ' HD12 ' A' ' 109' ' ' LEU . 22.9 mm-40 -49.18 111.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 70.21 110.309 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HZ2' HG23 ' A' ' 110' ' ' THR . 13.2 mttm -110.59 97.16 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 75.33 109.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 120' ' ' GLU . 5.3 mp -113.86 146.96 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 53.42 109.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.9 p -76.61 155.51 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 61.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.47 -24.65 32.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.52 109.317 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.82 -28.11 28.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.1 109.303 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.516 ' HB3' HD23 ' A' ' 116' ' ' LEU . 33.3 mm-40 -75.29 -49.33 19.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 74.23 110.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.741 HG21 ' HG2' ' A' ' 106' ' ' LYS . 9.8 p -63.05 -52.89 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 63.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.535 ' N ' HG13 ' A' ' 121' ' ' VAL . 4.2 t70 -47.53 -24.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 74.14 109.284 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 121' ' ' VAL . 3.1 t0 -91.15 -35.59 14.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 74.25 109.308 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.462 ' HE3' HD22 ' A' ' 116' ' ' LEU . 33.1 ttm -60.41 -35.14 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 74.41 111.022 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 122' ' ' ASP . 6.2 mt -63.56 -51.44 65.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 71.34 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 29.8 mtt180 -37.5 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 70.13 110.335 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 89.4 mt-10 -44.75 -49.31 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 72.14 110.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 20.8 m -130.65 8.9 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 31.21 109.308 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 132' ' ' SER . 1.3 p -97.21 1.69 50.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 70.24 109.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.4 t70 42.14 28.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.44 109.299 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 129' ' ' SER . . . 72.51 45.33 37.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.117 . . . . 63.02 111.035 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.9 OUTLIER -96.83 -70.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 75.32 109.951 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.58 -13.12 1.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 53.32 110.984 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -149.51 161.55 41.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 74.42 110.277 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.47 HG22 ' HB3' ' A' ' 139' ' ' GLN . 5.4 pt -127.84 129.92 69.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 60.35 109.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.574 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -95.69 -174.99 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 54.31 109.298 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.48 HD12 HD12 ' A' ' 85' ' ' LEU . 11.0 tp -56.36 -17.39 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 75.11 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.425 ' OE1' HG23 ' A' ' 137' ' ' ILE . 5.8 mm100 -88.87 -52.17 5.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 60.31 110.291 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.689 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 62.2 mt-30 -68.74 -56.77 6.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 73.53 110.305 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.494 ' CD2' HD13 ' A' ' 85' ' ' LEU . 19.4 t80 -44.15 -47.29 9.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 73.12 111.001 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.89 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -64.02 -30.68 71.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 43.31 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -52.69 -23.11 6.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 62.43 109.275 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.45 -49.55 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.44 109.308 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.542 HD12 HD22 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -86.7 11.09 13.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 63.25 109.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 141' ' ' ALA . 34.2 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 74.12 110.033 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.31 -0.256 . . . . 70.13 110.31 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.656 ' HB2' HH21 ' A' ' 459' ' ' ARG . 0.1 OUTLIER -75.85 -18.24 59.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 73.44 109.269 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 457' ' ' ALA . . . . . 0.865 ' HB1' ' OE2' ' A' ' 14' ' ' GLU . . . -86.19 -16.15 38.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.44 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.4 OUTLIER -67.96 -51.43 47.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 55.23 109.282 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.656 HH21 ' HB2' ' A' ' 456' ' ' LYS . 1.5 ptp180 -60.25 -37.61 80.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 74.43 110.269 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.547 ' HA ' HD22 ' A' ' 463' ' ' LEU . 8.3 t-20 -59.55 -34.9 73.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 53.24 109.273 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.927 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -53.73 -28.69 35.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 72.05 109.292 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.634 HG23 ' HE1' ' A' ' 92' ' ' PHE . 25.6 mt -90.07 -30.13 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 54.35 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.627 HD13 ' O ' ' A' ' 459' ' ' ARG . 6.5 mp -50.99 -37.81 47.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 72.51 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.575 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -77.53 -54.39 6.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 65.32 109.298 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.052 HG23 HD13 ' A' ' 39' ' ' LEU . 10.0 mt -51.7 -25.33 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 54.01 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.739 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.22 -60.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.55 109.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 470' ' ' ARG . 7.0 mttm -58.13 -65.53 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 74.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 67.4 t -38.71 -30.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.23 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.9 OUTLIER -79.3 -51.52 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 72.33 110.031 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.3 tmt_? -53.78 -41.25 67.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 70.44 110.341 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.925 ' SD ' HD21 ' A' ' 71' ' ' LEU . 6.3 mtp -50.76 -20.99 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 75.21 110.967 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 26.2 t80 -89.54 -26.91 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 73.2 111.012 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.4 t -90.56 -3.23 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.34 109.984 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 471' ' ' MET . 9.9 p -106.43 -48.69 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 70.42 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.454 ' N ' HG13 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -43.07 -34.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 73.12 109.279 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 63.55 110.278 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.3 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.36 -0.237 . . . . 71.32 110.36 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -40.97 -39.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 61.34 110.323 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -67.36 -44.37 79.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 64.44 110.281 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.444 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.8 mm100 -57.7 -31.42 66.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.52 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.766 ' N ' HD13 ' A' ' 9' ' ' ILE . 1.3 mm -69.68 -22.19 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 51.21 109.325 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.58 -12.71 57.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 64.4 109.311 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 66.2 mt-10 -76.3 -62.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 71.31 110.273 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 32.5 m-85 -53.54 -21.76 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 74.03 111.022 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.576 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 10.3 mmtt -51.72 -47.39 64.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 73.34 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.74 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 6.2 mm-40 -69.9 -45.82 66.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.02 110.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.567 ' O ' ' CZ ' ' A' ' 68' ' ' PHE . . . -60.91 -15.49 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 71.4 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 4.3 t80 -85.42 -41.58 15.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 74.21 110.963 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -24.31 64.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 14.42 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.834 HD21 ' HG2' ' A' ' 461' ' ' LYS . 73.2 mt -44.33 -40.59 5.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 72.34 109.286 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.839 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 7.6 m-85 -112.39 -36.91 5.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 74.44 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -67.51 86.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.11 109.312 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.63 ' HE3' HG21 ' A' ' 34' ' ' THR . 32.2 mmtt -62.52 -66.61 0.51 Allowed 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.6 1.667 . . . . 71.33 109.259 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.84 -11.38 59.97 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.878 -1.058 . . . . 75.32 110.004 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 55.94 57.78 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 72.45 109.298 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 11.3 p30 -91.69 -21.33 20.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 72.5 109.325 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 106.05 34.56 3.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.114 . . . . 62.11 111.005 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.97 112.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 71.23 110.007 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' A' ' 19' ' ' PHE . 61.9 mt -95.25 99.2 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 52.24 109.281 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -67.49 161.95 24.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 60.53 110.044 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 t -57.04 -17.27 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 54.24 109.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.56 -25.39 26.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 54.32 109.993 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.719 ' O ' HG22 ' A' ' 34' ' ' THR . 42.9 mt-10 -90.67 -33.34 15.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 65.22 110.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.031 HD22 HG13 ' A' ' 48' ' ' VAL . 1.3 tt -68.2 -52.59 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 72.33 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.616 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -66.67 -12.13 56.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.43 109.342 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -68.82 -26.06 64.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 44.12 110.353 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.0 t -89.8 -61.45 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 54.1 109.293 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.763 ' HE2' HD13 ' A' ' 41' ' ' LEU . 82.3 mtp -41.12 -53.6 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 55.15 111.022 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.484 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.4 ptp180 -60.27 -42.69 95.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 73.12 110.322 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 37.1 m -56.09 -36.28 67.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 65.15 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.977 HD13 HG23 ' A' ' 465' ' ' ILE . 20.1 mt -69.77 -22.54 63.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 61.24 109.302 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.1 2.45 8.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 73.54 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.763 HD13 ' HE2' ' A' ' 36' ' ' MET . 5.9 mt -77.42 -172.82 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 54.51 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -163.39 61.65 1.05 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 75.1 109.957 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 139.87 24.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 73.32 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 p -84.14 140.47 31.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 55.43 110.043 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 24.7 tt0 -51.87 -27.56 13.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 70.24 110.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.97 74.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 75.41 109.304 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.638 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.4 mt-10 -75.31 -51.58 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 70.22 110.297 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.031 HG13 HD22 ' A' ' 32' ' ' LEU . 55.5 t -40.47 -34.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 73.05 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 87.8 m-20 -65.0 -64.93 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 53.22 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -58.22 -16.57 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 73.14 109.271 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.979 HD11 ' HE3' ' A' ' 471' ' ' MET . 1.3 tm? -77.41 -55.37 5.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 71.42 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 27' ' ' ILE . 1.3 ptp -77.66 -14.0 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 63.15 111.008 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -86.45 -8.02 57.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 55.31 109.288 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.963 ' C ' HD13 ' A' ' 55' ' ' ILE . 6.3 mm-40 -91.02 -7.55 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 73.5 110.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.963 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.1 mm -117.73 -46.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 55.31 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 3.5 t0 -38.68 120.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 74.04 109.318 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.565 HG23 ' HG2' ' A' ' 67' ' ' GLU . 54.7 t -81.98 -18.48 11.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.631 1.682 . . . . 54.33 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.8 p-10 -114.4 -7.25 12.89 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.919 -1.039 . . . . 63.14 109.994 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.26 41.04 92.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 64.24 110.975 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.2 p-10 -90.15 17.32 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 71.02 109.258 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.557 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 25.7 t-80 59.25 34.4 23.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 63.21 109.596 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 44.8 mt-30 -158.81 148.94 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 72.24 110.334 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.67 127.42 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 74.24 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.562 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -91.57 179.44 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 72.05 110.297 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.74 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 1.9 t80 -76.16 -12.88 60.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 71.42 111.025 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.3 t -94.73 -40.65 9.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 55.04 110.011 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.565 ' HG2' HG23 ' A' ' 57' ' ' VAL . 45.2 mt-10 -69.83 -50.02 46.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 43.32 110.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 79.3 t80 -57.71 -40.81 80.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.15 110.981 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.728 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -69.99 -33.59 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 73.1 109.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -74.29 -16.14 60.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' ' 55' ' ' ILE . 58.9 tp -75.14 -48.83 21.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.34 109.273 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.744 ' HG3' ' HZ3' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -57.11 -36.68 70.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 73.04 110.99 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -93.25 11.82 26.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 71.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 72.33 110.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.853 ' HB3' HD11 ' A' ' 137' ' ' ILE . 8.2 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.289 -0.634 . . . . 70.54 109.289 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.79 -45.14 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 44.53 109.324 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.3 mm-40 -54.33 -45.17 72.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 72.05 110.311 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.881 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -76.89 -28.8 55.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 72.55 109.317 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.449 ' HA ' HD11 ' A' ' 100' ' ' ILE . 9.0 t80 -63.48 -64.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 74.34 111.037 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -29.95 69.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 65.31 109.273 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.2 t -63.57 -54.59 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 72.03 109.325 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.979 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.8 m-85 -66.08 -40.09 90.57 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.627 1.679 . . . . 70.35 111.031 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -74.27 97.43 2.99 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.868 -1.063 . . . . 71.54 109.98 179.688 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -31.22 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 75.14 109.289 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.468 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.96 -45.47 27.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 75.14 109.3 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.59 77.72 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 50.22 111.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.663 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.88 10.38 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 65.02 109.302 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.878 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.87 18.9 74.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 50.42 111.014 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.3 mt -149.86 114.69 5.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 75.35 109.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.516 HD13 ' CB ' ' A' ' 92' ' ' PHE . 51.5 mt -80.63 104.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 62.22 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 t -71.4 -174.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 75.01 110.009 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 106' ' ' LYS . . . -53.66 -71.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 41.34 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.83 -66.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 73.14 109.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB3' HG23 ' A' ' 100' ' ' ILE . 74.6 mt-10 -38.38 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.11 110.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.769 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -94.38 -73.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 72.41 109.302 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.764 ' HB3' HG21 ' A' ' 121' ' ' VAL . 1.1 ptmm? -45.6 -56.18 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.21 109.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.785 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.87 -42.88 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 73.41 109.575 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.979 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -66.07 -49.39 76.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 71.44 109.326 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.488 ' O ' ' CG1' ' A' ' 112' ' ' ILE . 1.2 mt -59.63 -26.87 65.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 64.23 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 1.8 m -85.08 -10.27 57.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.44 110.403 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.502 ' OG ' HD23 ' A' ' 39' ' ' LEU . 25.4 t -85.4 -0.29 54.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 74.05 109.965 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.041 HG21 HD11 ' A' ' 465' ' ' ILE . 6.3 pt -109.67 -32.91 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 72.45 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 145.08 -35.9 1.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 63.04 110.99 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.5 ' OE2' HD13 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -61.15 173.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 64.04 110.358 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 1.0 OUTLIER -156.56 129.52 7.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 62.14 109.27 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.539 ' CD2' ' CE ' ' A' ' 124' ' ' MET . 1.6 mp -124.1 143.99 50.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 74.2 109.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.2 p -73.41 154.14 40.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 74.22 110.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -27.77 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 75.3 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.27 -23.89 30.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 43.14 109.324 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -76.07 -57.11 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 73.5 110.319 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.957 ' O ' HD22 ' A' ' 125' ' ' LEU . 0.7 OUTLIER -59.34 -50.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 71.13 109.316 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.526 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 15.5 t70 -49.64 -26.1 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 70.02 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -32.44 16.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 64.12 109.312 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.539 ' CE ' ' CD2' ' A' ' 116' ' ' LEU . 56.4 ttm -58.19 -37.9 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 74.12 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.957 HD22 ' O ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -66.16 -57.02 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 44.3 109.284 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 125' ' ' LEU . 45.5 mtt180 -35.21 -33.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 64.35 110.265 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 125' ' ' LEU . 77.9 mt-10 -42.76 -51.18 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 74.04 110.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.506 HG11 ' CB ' ' A' ' 142' ' ' ALA . 33.1 m -132.84 11.83 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 73.42 109.309 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.3 p -96.76 13.86 27.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 71.33 109.995 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.6 t70 40.01 46.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 73.43 109.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.86 44.37 87.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 42.32 110.983 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 129' ' ' SER . 28.9 t -104.7 -82.57 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 74.32 110.024 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 158.97 -24.41 0.33 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 73.34 110.939 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -120.19 174.59 6.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 0.76 . . . . 74.23 110.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.769 HD11 ' CD1' ' A' ' 105' ' ' LEU . 9.0 pt -147.13 126.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 65.42 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.552 ' OD1' ' NE2' ' A' ' 139' ' ' GLN . 0.2 OUTLIER -90.49 173.58 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 75.23 109.257 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.853 HD11 ' HB3' ' A' ' 85' ' ' LEU . 5.8 tp -45.27 -26.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 61.45 109.315 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.426 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 7.1 mm100 -80.88 -58.42 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 74.44 110.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.702 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 45.7 mt-30 -63.16 -56.46 16.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 72.33 110.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.556 ' HA ' HD12 ' A' ' 135' ' ' ILE . 44.8 t80 -42.3 -50.45 5.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 73.13 110.964 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -61.27 -34.41 75.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 64.33 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.55 -37.36 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 64.31 109.331 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -43.97 90.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 62.52 109.293 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.632 ' N ' HD23 ' A' ' 144' ' ' LEU . 2.6 mt -69.24 -11.13 60.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 72.43 109.326 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 65.34 110.026 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.298 -0.26 . . . . 71.41 110.298 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 459' ' ' ARG . 5.0 ptmt -59.3 -21.75 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 44.13 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 457' ' ' ALA . . . . . 0.74 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -92.05 -16.71 26.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 75.22 109.316 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.08 -64.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 53.13 109.288 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.554 ' O ' HD13 ' A' ' 463' ' ' LEU . 4.1 ptp85 -58.66 -27.87 65.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 74.44 110.355 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.843 ' HA ' HD22 ' A' ' 463' ' ' LEU . 10.0 t30 -69.93 -39.07 76.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 72.11 109.266 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.834 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.24 -29.37 46.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 63.04 109.291 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.77 HG23 ' CE1' ' A' ' 92' ' ' PHE . 14.8 mt -86.18 -28.82 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 74.34 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.843 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.1 OUTLIER -58.64 -40.68 84.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 64.02 109.314 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 18' ' ' LEU . . . -73.96 -59.5 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 74.11 109.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.041 HD11 HG21 ' A' ' 112' ' ' ILE . 19.0 mt -42.8 -30.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 73.25 109.286 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.881 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.84 -71.96 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.05 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.744 ' HZ3' ' HG3' ' A' ' 72' ' ' MET . 25.1 mtpt -45.4 -61.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 53.13 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.839 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 58.3 t -46.72 -46.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 74.12 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 26.9 t -65.98 -27.0 67.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 75.24 110.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -74.21 -44.95 51.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 73.33 110.302 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.979 ' HE3' HD11 ' A' ' 51' ' ' LEU . 2.3 mtm -45.21 -23.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 74.11 111.001 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.618 ' HB2' ' HE3' ' A' ' 36' ' ' MET . 18.1 t80 -88.71 -33.79 17.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 75.51 111.032 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 470' ' ' ARG . 2.7 m -80.98 -1.93 45.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 65.25 109.995 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 12.0 p -111.69 -47.16 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 74.04 109.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.27 -36.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 64.05 109.27 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 74.15 110.232 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.6 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.39 -0.226 . . . . 73.21 110.39 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -40.04 -39.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 62.23 110.351 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.87 -46.48 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 55.42 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 5' ' ' THR . 12.6 mm100 -56.07 -30.59 62.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 74.12 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.815 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -67.9 -27.1 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.54 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.79 -12.55 59.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 71.34 109.257 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.48 ' CD ' ' CD ' ' A' ' 456' ' ' LYS . 6.0 mm-40 -76.05 -71.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 70.2 110.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.513 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 38.8 m-85 -41.17 -28.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 64.3 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 29.5 mttt -50.68 -49.03 58.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 61.24 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 461' ' ' LYS . 72.3 mt-10 -61.34 -43.85 98.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.52 110.252 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -66.39 -15.2 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 64.01 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.54 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 4.5 t80 -85.94 -37.81 18.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 72.41 110.999 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.07 -19.96 63.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 63.13 109.252 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.899 HD21 ' HG3' ' A' ' 461' ' ' LYS . 52.9 mt -49.76 -41.77 44.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 62.22 109.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.658 ' HB2' HD13 ' A' ' 27' ' ' ILE . 3.1 m-85 -109.75 -47.2 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 55.24 111.027 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.54 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -58.25 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 45.4 109.286 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.692 ' CE ' HG21 ' A' ' 34' ' ' THR . 31.4 mmtt -66.85 -67.14 0.47 Allowed 'General case' 0 C--O 1.215 -0.734 0 CA-C-O 123.638 1.685 . . . . 72.25 109.27 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -75.7 -8.27 56.4 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 117.887 -1.054 . . . . 72.24 109.981 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.9 m-80 52.0 61.39 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 74.31 109.295 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.4 p30 -91.72 -22.57 20.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 72.1 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 110.04 31.06 3.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 61.32 111.004 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.94 111.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 71.33 109.985 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.658 HD13 ' HB2' ' A' ' 19' ' ' PHE . 94.9 mt -91.15 104.27 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 75.12 109.279 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.54 158.85 35.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 53.4 109.975 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -55.14 -24.31 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 75.12 109.996 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.7 -26.15 44.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 74.31 109.943 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.757 ' O ' HG22 ' A' ' 34' ' ' THR . 40.1 mt-10 -90.59 -30.03 17.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 74.04 110.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.014 HD22 HG13 ' A' ' 48' ' ' VAL . 1.7 tt -70.19 -52.46 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 74.21 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.622 ' HB1' ' NH2' ' A' ' 37' ' ' ARG . . . -67.07 -12.4 59.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 51.33 109.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -68.43 -24.3 64.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 75.24 110.384 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -91.34 -61.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 53.14 109.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.565 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 95.2 mtp -41.81 -57.77 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 63.21 110.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.622 ' NH2' ' HB1' ' A' ' 33' ' ' ALA . 5.2 ptp180 -55.27 -40.64 71.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 72.21 110.255 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 7.8 t -57.0 -34.02 67.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 60.35 109.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.983 HD13 HG23 ' A' ' 465' ' ' ILE . 23.4 mt -74.36 -21.21 59.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.12 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.97 3.96 8.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 54.04 111.067 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.37 -176.89 4.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 65.32 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.469 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 55.6 m -161.73 60.77 1.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 72.14 109.997 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.98 144.45 30.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 74.24 111.018 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.0 p -88.02 140.33 29.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 65.11 109.974 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 18.0 tt0 -50.31 -27.88 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 63.23 110.306 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -49.37 76.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 62.44 109.321 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.94 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.0 OUTLIER -75.76 -51.92 11.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 73.41 110.276 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.014 HG13 HD22 ' A' ' 32' ' ' LEU . 55.5 t -39.91 -34.79 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 60.32 109.347 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 90.5 m-20 -67.01 -63.14 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 73.13 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.561 ' HB3' HD13 ' A' ' 475' ' ' LEU . 1.5 t70 -57.52 -16.8 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 54.03 109.332 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.753 ' HB2' HD22 ' A' ' 475' ' ' LEU . 1.3 tm? -80.07 -52.44 7.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 61.13 109.309 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.538 ' HB2' HD11 ' A' ' 63' ' ' ILE . 10.9 ptm -79.16 -11.89 59.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 71.44 111.015 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 m120 -87.28 -8.2 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 72.44 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.458 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.2 mm-40 -81.39 -21.77 38.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 62.53 110.28 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.746 HG13 HD22 ' A' ' 71' ' ' LEU . 1.9 mm -107.35 -40.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 71.34 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.5 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 5.0 t0 -39.27 116.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 73.21 109.28 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.8 t -94.93 -7.78 9.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 123.631 1.681 . . . . 62.44 109.285 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 42.1 p-10 -117.62 -10.94 10.5 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 117.941 -1.028 . . . . 75.32 110.007 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 62.73 36.26 93.06 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.426 1.079 . . . . 74.53 110.973 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.5 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 31.4 p-10 -92.42 27.3 2.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 72.4 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.634 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 12.5 t-80 43.41 42.52 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 65.42 109.585 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.528 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 37.3 mt-30 -160.95 162.35 31.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 63.11 110.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.538 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.3 OUTLIER -111.4 126.19 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 74.31 109.328 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.464 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -94.15 175.23 6.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 73.43 110.294 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.815 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.2 t80 -74.53 -12.69 60.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 72.03 110.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -90.9 -43.0 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.1 109.993 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -70.37 -56.03 7.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 74.32 110.301 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 86.7 t80 -50.22 -45.98 54.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 70.14 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.772 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -67.34 -34.19 76.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 72.23 109.292 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.63 -16.3 62.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 74.54 109.304 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.766 HD21 ' CE ' ' A' ' 471' ' ' MET . 15.8 tp -77.04 -60.64 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 75.04 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.455 ' HE1' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -39.9 -49.5 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 72.01 110.954 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 m -72.75 -33.19 66.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 63.35 110.027 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 74.34 110.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.829 ' HB3' HD11 ' A' ' 137' ' ' ILE . 7.1 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.293 -0.632 . . . . 73.05 109.293 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 87' ' ' GLU . 2.8 pp -57.19 -46.92 82.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 62.22 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.555 ' O ' HG23 ' A' ' 91' ' ' VAL . 43.2 mm-40 -51.69 -44.45 63.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 75.25 110.313 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.783 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -80.59 -24.65 39.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 64.52 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.7 t80 -66.18 -64.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 72.02 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -61.02 -31.26 70.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 71.1 109.289 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.1 t -60.94 -56.38 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 75.14 109.3 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 1.013 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.7 m-85 -64.56 -43.8 92.77 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 123.623 1.678 . . . . 74.23 111.004 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.86 99.01 1.32 Allowed 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 117.896 -1.049 . . . . 61.01 109.98 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -30.22 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 65.14 109.339 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -78.32 -43.5 27.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 72.11 109.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.96 78.52 1.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 74.14 110.971 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.655 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.62 11.46 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 74.43 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.868 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 68.08 18.81 71.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 72.25 110.989 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -149.88 111.34 4.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 0.798 . . . . 64.53 109.279 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.6 HD13 ' CB ' ' A' ' 92' ' ' PHE . 64.6 mt -77.13 104.74 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 71.53 109.306 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -70.22 -175.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 30.05 110.012 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.584 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -54.01 -70.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 51.52 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.16 -67.15 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 75.24 109.256 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ALA . 36.3 mt-10 -37.64 -29.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 64.54 110.284 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.893 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.4 OUTLIER -93.05 -72.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 44.53 109.307 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.599 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -46.04 -56.99 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.02 109.274 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.521 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -47.2 -42.13 19.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 73.24 109.631 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 1.013 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -64.95 -48.4 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 72.05 109.284 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 114' ' ' GLU . 2.8 mm? -59.69 -30.02 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 72.41 109.322 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.5 m -82.12 -23.83 35.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 73.51 110.404 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 38' ' ' SER . 0.4 OUTLIER -71.98 -7.87 51.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 72.44 109.988 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.88 HD13 HD11 ' A' ' 465' ' ' ILE . 15.6 pt -114.61 -33.09 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 54.35 109.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.16 -34.43 0.85 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 30.41 111.039 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' LEU . 10.8 mm-40 -61.46 111.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 65.35 110.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -108.91 105.11 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.02 109.289 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.464 HD23 ' HB3' ' A' ' 120' ' ' GLU . 5.9 mp -115.04 146.51 41.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 75.13 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.1 p -79.41 157.84 27.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 62.45 110.398 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 0.8 OUTLIER -54.3 -32.64 56.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 61.15 109.326 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.73 -24.96 53.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 72.24 109.332 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.464 ' HB3' HD23 ' A' ' 116' ' ' LEU . 41.2 mm-40 -77.71 -55.69 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 72.21 110.315 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -64.08 -50.44 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 75.14 109.326 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.517 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 12.7 t0 -47.6 -24.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 60.01 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.67 -35.24 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 74.25 109.309 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 121' ' ' VAL . 28.3 ttm -63.82 -30.73 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 75.3 110.941 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.987 HD13 ' O ' ' A' ' 133' ' ' GLY . 12.7 mt -68.34 -58.34 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 50.15 109.289 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 125' ' ' LEU . 15.1 mtt-85 -36.32 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 65.14 110.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.5 mm-40 -43.39 -49.29 7.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 62.14 110.321 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.411 HG11 ' CB ' ' A' ' 142' ' ' ALA . 31.2 m -132.49 8.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 65.34 109.271 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.45 ' HB3' ' C ' ' A' ' 125' ' ' LEU . 1.4 p -91.95 1.92 56.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 44.31 109.966 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.3 t70 51.12 27.17 3.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 63.3 109.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . . . 89.27 -23.64 17.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.152 . . . . 64.14 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 133' ' ' GLY . 86.2 p -39.07 -78.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 71.24 110.016 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.987 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 147.84 -17.64 1.41 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 73.13 111.027 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.6 mt-10 -119.96 178.9 4.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 0.772 . . . . 74.24 110.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.893 HD11 ' CD1' ' A' ' 105' ' ' LEU . 5.4 pt -148.03 119.86 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 54.42 109.341 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.588 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -87.56 175.87 7.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 64.53 109.323 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.829 HD11 ' HB3' ' A' ' 85' ' ' LEU . 5.3 tp -47.58 -23.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 63.24 109.262 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.422 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 6.9 mm100 -84.12 -58.3 2.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 74.43 110.333 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.662 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 53.1 mt-30 -62.19 -55.99 23.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 71.14 110.326 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.415 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 37.6 t80 -43.1 -46.55 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.25 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.91 74.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 14.03 109.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.82 -36.31 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 41.12 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.464 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 1.0 OUTLIER -61.46 -62.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 71.32 109.305 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.603 ' N ' HD23 ' A' ' 144' ' ' LEU . 1.8 mt -51.05 -22.43 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 71.42 109.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 74.34 109.986 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.258 -0.275 . . . . 74.43 110.258 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.48 ' CD ' ' CD ' ' A' ' 11' ' ' GLU . 3.3 ptpt -68.18 -30.75 69.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 71.32 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -92.32 -16.24 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.13 109.303 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 458' ' ' LEU . 2.0 tm? -63.95 -57.2 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 70.32 109.315 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 143' ' ' LEU . 3.5 ptp180 -71.6 -19.83 62.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 71.31 110.275 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.88 ' HA ' HD22 ' A' ' 463' ' ' LEU . 19.5 t30 -63.7 -31.07 72.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.34 109.289 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.899 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -57.03 -26.72 60.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 70.11 109.269 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.708 HG23 ' CE1' ' A' ' 92' ' ' PHE . 7.4 mt -86.5 -35.96 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 65.22 109.278 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.88 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.6 OUTLIER -46.78 -46.58 20.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 74.12 109.338 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -71.87 -59.87 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 43.05 109.353 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 0.983 HG23 HD13 ' A' ' 39' ' ' LEU . 93.4 mt -40.36 -31.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 71.33 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.783 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.02 -72.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 75.24 109.313 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.455 ' CB ' ' HE3' ' A' ' 72' ' ' MET . 35.4 mttt -40.37 -67.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 74.13 109.29 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.556 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 55.7 t -39.12 -38.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 72.5 109.326 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 466' ' ' ALA . 0.1 OUTLIER -71.73 -68.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 74.13 109.947 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.719 ' NH1' HG21 ' A' ' 474' ' ' VAL . 0.0 OUTLIER -37.06 -51.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 75.1 110.303 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.766 ' CE ' HD21 ' A' ' 71' ' ' LEU . 2.2 mtm -42.11 -49.98 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 75.34 111.029 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.565 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 10.7 t80 -50.26 -37.46 36.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.14 110.996 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -71.22 -25.76 62.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 72.42 109.993 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.719 HG21 ' NH1' ' A' ' 470' ' ' ARG . 45.0 t -79.52 -52.01 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 74.31 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.94 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -43.14 -37.67 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.01 109.297 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 71.42 110.3 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.5 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.403 -0.221 . . . . 61.32 110.403 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -41.44 -35.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 63.21 110.332 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 7.6 tt0 -67.88 -46.7 70.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 74.23 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.439 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 11.8 mm100 -57.06 -35.94 69.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.2 110.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.814 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 1.7 mm -65.58 -21.88 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 72.51 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -83.1 -12.33 57.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 63.51 109.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -81.34 -64.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 75.52 110.338 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 52.2 m-85 -50.27 -24.35 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 54.33 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.4 mtmt -56.17 -38.86 71.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 72.42 109.272 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' CB ' ' HE2' ' A' ' 461' ' ' LYS . 5.3 mm-40 -70.42 -45.41 65.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 63.44 110.281 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -61.98 -15.33 42.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 54.05 109.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 5.8 t80 -83.04 -36.45 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 72.31 111.026 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -27.1 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 71.32 109.256 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.767 HD21 ' HG3' ' A' ' 461' ' ' LYS . 72.8 mt -41.53 -34.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 73.14 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.68 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 5.6 m-85 -116.07 -54.28 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 72.44 111.027 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.587 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -50.91 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 64.35 109.348 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' PHE . 39.0 mmtt -72.75 -67.03 0.59 Allowed 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 123.636 1.684 . . . . 72.53 109.297 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -71.48 -3.51 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.903 -1.046 . . . . 75.03 109.976 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 44.38 63.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 71.15 109.271 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 18.5 p-10 -96.07 -24.71 16.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 73.54 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.36 29.4 3.21 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.118 . . . . 74.34 111.004 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.91 111.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 44.32 110.003 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 54.1 mt -84.94 109.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 72.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 p -67.73 168.15 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 64.32 109.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.449 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 1.6 t -68.7 -33.57 74.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 75.33 109.995 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.07 -20.63 60.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 61.51 110.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.658 ' O ' HG22 ' A' ' 34' ' ' THR . 45.9 mt-10 -90.81 -40.28 11.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 53.21 110.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.712 HD22 HG13 ' A' ' 48' ' ' VAL . 2.5 tt -63.39 -51.72 64.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 64.32 109.246 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.475 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -65.87 -12.12 52.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.25 109.28 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -70.14 -29.53 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 74.45 110.429 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.554 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 1.8 t -83.33 -65.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 73.15 109.343 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.518 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 78.7 mtp -41.03 -48.28 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 64.2 110.975 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.1 ptm180 -62.35 -39.21 92.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.45 110.346 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.424 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.0 m -61.18 -15.66 36.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 54.21 110.009 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.054 HD13 HG23 ' A' ' 465' ' ' ILE . 8.7 mt -91.54 -19.01 23.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 73.04 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.37 -3.72 8.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.097 . . . . 53.15 110.955 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.511 HD13 ' HE2' ' A' ' 36' ' ' MET . 20.5 mt -73.19 -178.25 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 72.01 109.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.485 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 11.5 p -159.8 59.92 1.4 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 73.33 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -75.01 115.3 4.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 64.42 111.031 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -67.24 139.97 57.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 61.01 110.015 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -43.25 -43.74 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 74.45 110.325 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.96 -50.74 18.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 53.11 109.272 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.18 -48.16 37.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 74.52 110.333 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.712 HG13 HD22 ' A' ' 32' ' ' LEU . 98.7 t -43.12 -32.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 74.11 109.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.25 -63.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 62.53 109.27 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.57 -13.82 35.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 74.24 109.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.665 ' C ' HD13 ' A' ' 51' ' ' LEU . 1.2 tm? -79.13 -53.44 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 55.42 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 61' ' ' HIS . 1.8 ptp -76.45 -21.55 55.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 72.41 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -78.33 -7.88 57.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 64.23 109.293 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.488 ' C ' HD13 ' A' ' 55' ' ' ILE . 15.7 mm-40 -85.64 -13.95 47.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 61.31 110.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.654 HD11 ' SD ' ' A' ' 471' ' ' MET . 1.4 mm -117.98 -40.83 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 63.42 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 4.7 t0 -38.57 115.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 73.13 109.266 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 97.3 t -94.8 -7.22 10.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.687 1.708 . . . . 75.41 109.351 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 53.7 p-10 -120.12 -10.56 9.39 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.922 -1.037 . . . . 74.31 109.987 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 64.3 37.34 94.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 54.34 111.0 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.4 p-10 -96.76 31.88 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 52.11 109.283 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.644 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 13.4 t-80 40.27 38.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.22 109.615 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.451 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 35.6 mt-30 -157.65 177.57 11.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 71.45 110.318 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.07 127.78 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 72.1 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -95.29 168.09 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.03 110.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.814 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 1.9 t80 -69.5 -13.15 62.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.12 111.043 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.9 p -87.22 -47.08 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 51.14 110.012 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 18.0 mt-10 -69.51 -49.14 57.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 65.13 110.311 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -53.67 -43.51 68.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 75.02 111.0 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -72.51 -34.6 67.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 73.15 109.305 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.37 -15.83 61.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 60.25 109.303 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.625 HD13 HD12 ' A' ' 55' ' ' ILE . 19.2 tp -73.46 -46.83 45.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 74.53 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' A' ' 467' ' ' LYS . 1.0 OUTLIER -61.76 -40.32 94.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 74.32 110.986 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.1 t -72.07 -9.93 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 75.34 109.993 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 72.51 110.302 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.125 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.26 -0.645 . . . . 70.52 109.26 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 87' ' ' GLU . 1.5 pp -63.61 -47.73 80.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 71.15 109.273 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.646 ' N ' HD12 ' A' ' 86' ' ' LEU . 56.8 mm-40 -54.11 -34.74 61.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 75.34 110.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -90.34 -20.94 22.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 64.15 109.328 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' LEU . 21.8 t80 -67.83 -63.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 54.34 111.007 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' NZ ' ' CB ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -63.27 -32.75 74.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 52.22 109.302 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 1.9 t -58.96 -57.44 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 73.03 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 1.007 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.7 m-85 -62.03 -42.9 99.67 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 123.624 1.678 . . . . 72.44 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -70.13 98.6 1.35 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 117.91 -1.043 . . . . 54.33 109.96 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -30.34 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 72.15 109.27 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.463 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -77.83 -45.41 24.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 75.53 109.317 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.35 77.69 1.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.455 1.097 . . . . 74.15 110.971 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.646 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.86 10.48 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 61.54 109.301 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.859 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.72 18.31 73.92 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 71.44 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.859 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -149.7 110.56 4.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 72.43 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.584 HD13 ' CB ' ' A' ' 92' ' ' PHE . 68.9 mt -74.96 103.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 72.11 109.329 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -70.08 174.9 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 71.43 109.984 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -46.01 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 74.22 109.345 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.39 -67.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 64.24 109.315 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 103' ' ' ALA . 37.6 mt-10 -37.63 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 72.14 110.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.77 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.5 OUTLIER -93.94 -72.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 73.04 109.325 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.662 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -47.74 -55.79 8.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 62.32 109.27 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.529 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -47.98 -40.29 22.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.54 109.571 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 1.007 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -66.82 -50.1 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 65.2 109.276 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.0 -35.23 66.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 63.34 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 99.3 m -80.16 -16.87 53.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 54.52 110.394 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.0 -2.09 54.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.41 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.941 HG21 HD11 ' A' ' 465' ' ' ILE . 6.8 pt -115.83 -33.85 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 65.41 109.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.431 ' N ' HG13 ' A' ' 112' ' ' ILE . . . 153.6 -39.02 0.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 61.03 111.008 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 110' ' ' THR . 7.4 mm-40 -49.2 174.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 72.2 110.314 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.77 105.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 74.22 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.603 ' CD2' ' CE ' ' A' ' 124' ' ' MET . 5.9 mp -121.86 138.51 54.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 71.13 109.303 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.3 p -75.42 157.38 34.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 63.34 110.415 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 4.8 t70 -54.63 -23.03 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 74.43 109.313 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.11 -26.24 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 71.34 109.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -79.01 -50.86 10.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 74.13 110.254 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.662 HG21 ' HB3' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -66.69 -50.99 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 74.43 109.32 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.528 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 16.2 t70 -49.7 -25.3 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 65.44 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -37.02 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 71.22 109.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.603 ' CE ' ' CD2' ' A' ' 116' ' ' LEU . 4.3 tpp -56.32 -37.38 69.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 75.54 110.978 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 127' ' ' GLU . 9.6 mt -64.31 -54.47 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 63.51 109.259 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 125' ' ' LEU . 40.7 mtt180 -36.9 -31.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 71.23 110.272 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' LEU . 73.0 mm-40 -44.26 -50.14 9.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 73.43 110.3 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.52 HG11 ' CB ' ' A' ' 142' ' ' ALA . 33.0 m -132.18 11.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.23 109.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 132' ' ' SER . 2.4 p -98.21 5.33 48.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 70.14 109.982 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' SER . 25.8 t70 40.39 36.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 71.15 109.275 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.98 46.67 90.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 63.13 110.984 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 129' ' ' SER . 2.2 m -97.89 -72.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 61.43 109.995 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.26 -16.46 1.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 71.22 110.995 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 27.5 mt-10 -141.81 170.33 15.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 71.04 110.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.77 HD11 ' CD1' ' A' ' 105' ' ' LEU . 4.8 pt -138.36 130.44 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 62.12 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.559 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.75 -174.36 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.35 109.284 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.542 HD12 HD12 ' A' ' 85' ' ' LEU . 11.2 tp -58.06 -16.46 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 65.33 109.326 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -90.34 -49.68 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 61.21 110.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.668 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 62.2 mt-30 -70.53 -56.97 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 74.01 110.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.418 ' CD2' HD13 ' A' ' 85' ' ' LEU . 16.5 t80 -43.52 -49.12 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 72.12 110.989 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 1.125 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -62.05 -31.83 72.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 71.12 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -55.33 -29.43 58.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 73.14 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.45 -47.23 34.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 74.35 109.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.699 HD21 HD12 ' A' ' 462' ' ' ILE . 8.1 mt -74.22 -4.18 34.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 74.44 109.305 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 63.31 110.001 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.279 -0.267 . . . . 71.32 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -23.14 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 62.25 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 457' ' ' ALA . . . . . 0.437 ' O ' ' NZ ' ' A' ' 461' ' ' LYS . . . -75.15 -22.09 58.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 72.43 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.18 -52.39 65.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 74.31 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -69.68 -21.89 63.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 73.31 110.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 0.59 ' HA ' HD12 ' A' ' 463' ' ' LEU . 30.3 t30 -73.2 -23.6 60.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 73.32 109.32 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.767 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -65.57 -25.32 67.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 62.13 109.287 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.736 HG23 ' HE1' ' A' ' 92' ' ' PHE . 6.1 mt -90.4 -37.95 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 52.32 109.332 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 460' ' ' ASN . 94.8 mt -40.41 -48.59 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 54.24 109.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 0.597 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -68.03 -55.62 11.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.127 . . . . 74.33 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.054 HG23 HD13 ' A' ' 39' ' ' LEU . 22.6 mt -50.61 -21.74 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 71.13 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.04 -66.89 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 70.51 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.472 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 24.6 mttt -57.7 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 62.53 109.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.68 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 61.8 t -39.2 -38.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 70.25 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 10.1 t -71.66 -48.51 47.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 75.11 110.023 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.3 OUTLIER -57.13 -36.02 70.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 75.55 110.279 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.654 ' SD ' HD11 ' A' ' 55' ' ' ILE . 8.4 mtm -51.12 -22.42 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.42 111.015 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.518 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 13.4 t80 -89.1 -25.43 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 65.42 110.979 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 5.8 t -91.62 -2.8 56.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 73.42 110.01 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 471' ' ' MET . 10.8 p -107.65 -48.66 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.3 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.586 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.1 OUTLIER -40.2 -33.58 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 65.14 109.271 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.41 110.283 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.2 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.408 -0.219 . . . . 72.23 110.408 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -41.07 -33.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 73.11 110.312 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 30.7 tt0 -69.95 -48.74 57.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.34 110.253 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' THR . 9.5 mm100 -53.58 -34.16 57.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 72.32 110.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.151 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.6 mm -65.59 -29.98 48.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 75.02 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -70.65 -12.37 61.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 64.54 109.337 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -79.16 -62.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 62.33 110.306 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -52.23 -20.14 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 65.23 110.949 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 2.6 mttt -52.8 -21.35 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 74.05 109.273 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.98 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 74.25 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.049 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -57.83 -17.44 16.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 72.55 109.275 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.605 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 8.4 t80 -78.2 -40.83 36.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 70.23 110.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.62 68.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 70.42 109.261 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.979 HD21 ' HG3' ' A' ' 461' ' ' LYS . 72.9 mt -41.28 -41.65 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 70.14 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.603 ' HZ ' HG11 ' A' ' 468' ' ' VAL . 18.2 m-85 -104.42 -54.7 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 74.31 110.998 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.605 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.75 92.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 64.23 109.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' PHE . 44.1 mmtt -72.39 -67.34 0.56 Allowed 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.643 1.687 . . . . 63.03 109.318 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 22' ' ' ASP . 2.9 p30 -72.98 -6.45 45.45 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 117.908 -1.044 . . . . 73.03 109.949 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.44 65.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 62.32 109.306 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -98.54 -25.62 14.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 73.5 109.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.4 30.61 2.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 51.2 110.979 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.9 p -168.92 111.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.776 . . . . 75.33 109.989 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 45.3 mt -87.86 107.46 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 72.43 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 p -71.15 157.62 37.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 74.3 109.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -60.62 -26.63 67.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 44.42 109.997 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -71.34 -25.33 62.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 61.44 109.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.622 ' O ' HG22 ' A' ' 34' ' ' THR . 45.7 mt-10 -90.73 -46.42 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 72.41 110.315 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.031 HD22 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -55.64 -50.18 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 64.02 109.3 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.678 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -64.56 -12.61 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 71.32 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -74.96 -32.66 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 71.15 110.425 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -88.8 -60.91 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 73.43 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.458 ' SD ' HD21 ' A' ' 32' ' ' LEU . 77.1 mtp -40.97 -47.26 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.45 111.013 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 9.2 ptm180 -70.13 -35.21 73.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 62.35 110.282 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' VAL . 5.0 m -62.49 -22.25 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 74.12 109.976 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.014 HD13 HG23 ' A' ' 465' ' ' ILE . 10.4 mt -80.34 -18.3 49.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.05 109.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.93 2.34 8.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 71.43 111.027 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.0 mt -87.3 -173.96 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 52.53 109.301 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.453 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 48.1 t -164.98 61.94 0.85 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 51.44 109.969 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 124.37 8.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 63.21 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' GLU . 68.4 m -69.53 140.62 53.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 73.15 110.013 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -42.84 -28.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 75.04 110.309 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.79 -47.78 76.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 75.33 109.285 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' SER . 1.2 mt-10 -76.15 -49.75 16.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 75.11 110.358 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.031 HG13 HD22 ' A' ' 32' ' ' LEU . 53.4 t -40.93 -42.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 71.13 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ASN . 90.9 m-20 -62.64 -63.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 73.13 109.26 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -18.07 4.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 52.44 109.34 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -78.75 -52.85 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 75.55 109.249 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.606 ' HB2' HD11 ' A' ' 63' ' ' ILE . 10.3 ptm -80.97 -8.79 59.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 70.04 110.976 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.1 m120 -86.09 -10.13 55.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 71.01 109.272 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.53 ' C ' HD13 ' A' ' 55' ' ' ILE . 15.2 mm-40 -85.61 -10.17 56.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 65.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.899 HG13 HD22 ' A' ' 71' ' ' LEU . 2.7 mm -117.91 -42.77 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 75.14 109.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.493 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 5.9 t0 -39.44 116.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.52 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.58 -7.84 9.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 CA-C-O 123.595 1.664 . . . . 62.51 109.292 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 32.3 p-10 -115.41 -10.25 12.01 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.899 -1.048 . . . . 71.05 109.969 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 58.84 39.28 93.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 64.01 111.033 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.493 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.3 p-10 -96.28 25.26 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 74.55 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.67 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 9.9 t-80 47.36 40.85 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 51.33 109.649 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.522 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 59.4 mt-30 -160.29 176.29 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 35.44 110.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -123.42 127.09 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 70.44 109.297 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.89 173.72 6.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 75.11 110.291 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 1.151 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 4.0 t80 -74.16 -10.74 59.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 74.34 110.983 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 2.2 p -92.52 -32.85 14.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 64.22 110.025 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.51 -53.56 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 72.13 110.313 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CD2' ' HD1' ' A' ' 16' ' ' PHE . 87.7 t80 -54.03 -49.8 68.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 75.04 111.005 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.085 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.35 -23.62 67.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 70.34 109.296 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.085 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -86.08 -15.59 40.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 60.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.914 HD21 ' SD ' ' A' ' 471' ' ' MET . 9.2 tp -73.61 -48.55 31.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 54.43 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -56.27 -36.33 68.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 62.04 110.997 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.0 p -90.58 22.22 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 64.25 110.013 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 73.02 110.284 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.076 HD21 ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.327 -0.62 . . . . 70.13 109.327 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.426 HD12 ' HD2' ' A' ' 90' ' ' LYS . 1.8 pp -47.25 -38.3 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 72.32 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 5.6 mm-40 -66.75 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 72.14 110.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.914 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -63.4 -11.86 26.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 72.21 109.302 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' LEU . 36.3 t80 -85.4 -55.98 3.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 75.03 111.003 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' HD2' HD12 ' A' ' 86' ' ' LEU . 2.0 ptmm? -66.89 -35.8 80.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 73.33 109.336 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 1.3 p -59.52 -48.46 87.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 61.3 109.293 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.949 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.0 m-85 -68.78 -42.28 77.61 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.64 1.686 . . . . 75.22 111.004 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -73.08 100.03 2.92 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.876 -1.059 . . . . 63.12 110.012 179.693 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -31.16 19.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 65.31 109.29 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.5 -50.85 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 60.35 109.267 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.452 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 90.77 68.09 1.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 23.11 111.01 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.493 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -124.79 -0.3 8.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 71.15 109.292 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.899 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 84.89 13.69 71.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 34.11 110.99 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.899 HD23 ' O ' ' A' ' 98' ' ' GLY . 0.9 OUTLIER -149.6 113.9 5.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 74.34 109.304 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.599 HD13 ' CB ' ' A' ' 92' ' ' PHE . 68.9 mt -73.2 99.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 75.31 109.24 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.4 p -63.9 168.8 4.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 54.53 110.016 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -43.62 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 64.13 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -42.28 -65.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 64.4 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -38.95 -28.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 73.32 110.279 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.958 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -91.55 -72.93 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 73.42 109.316 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.66 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -45.58 -60.41 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 73.34 109.319 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.79 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.75 -41.43 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 71.04 109.596 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.949 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -67.99 -57.35 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 72.12 109.305 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.514 HD23 HG12 ' A' ' 108' ' ' VAL . 3.5 mt -53.7 -23.35 11.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 70.52 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.2 m -83.89 -25.96 29.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 51.22 110.392 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.684 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.53 -9.03 46.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 75.33 110.017 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.941 HG21 HD11 ' A' ' 465' ' ' ILE . 12.9 pt -112.18 -32.03 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 73.43 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.71 -33.72 0.97 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.137 . . . . 52.31 111.035 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 109' ' ' LEU . 4.0 mm-40 -65.29 106.02 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 71.12 110.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.92 98.9 8.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 61.13 109.249 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.562 HD13 ' HB3' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -96.97 127.13 42.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 71.24 109.265 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.4 p -65.44 158.03 27.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 71.13 110.409 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -55.31 -22.27 18.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 65.53 109.285 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.78 -22.89 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 60.11 109.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.562 ' HB3' HD13 ' A' ' 116' ' ' LEU . 8.3 mm-40 -82.25 -62.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 72.22 110.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.66 HG21 ' HG2' ' A' ' 106' ' ' LYS . 4.1 p -52.12 -50.95 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 54.41 109.296 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.506 ' HA ' HD12 ' A' ' 125' ' ' LEU . 2.3 t70 -47.08 -25.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 71.43 109.303 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 121' ' ' VAL . 28.2 t70 -91.54 -35.5 14.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 71.53 109.334 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.473 ' HE3' ' HB2' ' A' ' 124' ' ' MET . 23.5 ttm -61.39 -33.66 74.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 63.34 111.016 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 122' ' ' ASP . 5.1 mt -67.24 -55.9 12.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 45.44 109.261 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 125' ' ' LEU . 36.0 mtt-85 -37.87 -29.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 73.12 110.31 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 88.3 mt-10 -48.91 -50.64 34.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 74.3 110.292 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.42 HG11 ' CB ' ' A' ' 142' ' ' ALA . 34.5 m -131.35 16.92 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 73.11 109.335 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.5 p -104.26 7.81 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 55.13 110.015 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' SER . 21.8 t70 39.21 46.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 70.24 109.328 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.06 47.52 72.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 53.2 111.001 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 129' ' ' SER . 28.9 t -106.73 -77.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 65.12 109.993 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 150.06 -17.27 1.05 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 60.24 111.042 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.421 ' HB3' ' CB ' ' A' ' 99' ' ' LEU . 21.1 mt-10 -136.02 159.43 41.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 65.14 110.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.958 HD11 ' CD1' ' A' ' 105' ' ' LEU . 6.2 pt -131.32 129.57 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 73.23 109.294 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.634 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.4 -174.01 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 71.31 109.32 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.446 HD13 ' CD2' ' A' ' 89' ' ' PHE . 11.1 tp -59.23 -15.5 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 72.11 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -90.3 -51.12 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 63.04 110.284 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.632 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 57.8 mt-30 -70.03 -56.34 7.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 64.43 110.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' A' ' 136' ' ' ASN . 12.8 t80 -43.55 -48.02 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 73.35 110.993 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 1.076 ' CB ' HD21 ' A' ' 85' ' ' LEU . . . -55.47 -35.69 65.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 71.43 109.264 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.42 -35.87 5.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 62.5 109.297 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.6 -42.12 71.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 73.01 109.317 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 141' ' ' ALA . 8.0 mt -79.04 1.51 23.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 75.3 109.291 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 64.34 109.949 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.275 -0.268 . . . . 73.33 110.275 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.654 ' HZ1' ' HA ' ' A' ' 457' ' ' ALA . 0.0 OUTLIER -58.98 -24.98 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 65.55 109.352 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 457' ' ' ALA . . . . . 0.654 ' HA ' ' HZ1' ' A' ' 456' ' ' LYS . . . -83.54 -18.24 39.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 42.23 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.5 OUTLIER -64.09 -48.71 75.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 72.1 109.297 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 459' ' ' ARG . . . . . 0.442 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 1.3 ptp85 -76.29 -35.95 58.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 73.43 110.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' ASN . . . . . 1.13 ' ND2' HD12 ' A' ' 463' ' ' LEU . 0.0 OUTLIER -58.84 -31.23 68.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 62.42 109.331 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 461' ' ' LYS . . . . . 0.979 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -63.31 -29.17 70.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.34 109.25 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.717 HG23 ' HE1' ' A' ' 92' ' ' PHE . 13.6 mt -89.45 -33.12 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 74.13 109.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 1.13 HD12 ' ND2' ' A' ' 460' ' ' ASN . 61.0 mt -47.2 -50.23 21.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.32 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 464' ' ' ALA . . . . . 1.049 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -65.72 -59.03 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 64.43 109.305 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 1.014 HG23 HD13 ' A' ' 39' ' ' LEU . 49.6 mt -42.01 -28.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 65.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 466' ' ' ALA . . . . . 0.914 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -81.86 -72.43 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 74.35 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 467' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 469' ' ' SER . 1.2 mtmm -44.55 -64.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 61.01 109.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 468' ' ' VAL . . . . . 0.923 HG22 ' O ' ' A' ' 464' ' ' ALA . 12.4 m -38.52 -31.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.43 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 469' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 467' ' ' LYS . 5.5 t -82.76 -67.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 71.14 110.024 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.58 ' HD3' HG23 ' A' ' 474' ' ' VAL . 1.3 tmt_? -38.63 -30.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.12 110.272 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 471' ' ' MET . . . . . 0.914 ' SD ' HD21 ' A' ' 71' ' ' LEU . 5.5 mtp -56.97 -48.7 77.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 72.32 111.004 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 472' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 4.6 t80 -49.47 -30.3 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.33 111.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 4.2 m -79.1 -27.99 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 53.43 110.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 474' ' ' VAL . . . . . 0.58 HG23 ' HD3' ' A' ' 470' ' ' ARG . 60.7 t -78.23 -56.43 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 61.41 109.294 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.784 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -39.56 -38.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 73.12 109.3 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 61.13 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.968 -0.853 . . . . 41.54 110.968 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 45.61 37.79 3.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 75.34 110.067 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.6 142.77 46.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 61.45 109.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -134.32 64.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 75.21 109.307 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.879 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -114.55 153.83 29.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 71.54 109.268 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p -98.27 164.64 12.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 73.22 110.432 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -46.68 -38.95 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 72.25 110.303 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -68.07 -36.48 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 62.23 110.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 4' ' ' LEU . 18.9 mm100 -64.55 -31.17 72.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 74.3 110.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.64 HG23 HD22 ' A' ' 69' ' ' LEU . 3.5 mm -67.11 -20.67 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 64.32 109.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.39 -12.39 54.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 70.42 109.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CG ' ' HA ' ' A' ' 8' ' ' GLN . 25.9 mm-40 -76.86 -67.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 72.21 110.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.879 ' CZ ' HD13 ' A' ' 4' ' ' LEU . 38.7 m-85 -44.49 -25.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 72.24 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.587 ' CG ' ' CE1' ' A' ' 65' ' ' PHE . 23.5 mttt -53.57 -45.97 70.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 75.32 109.321 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.476 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 26.3 mm-40 -63.78 -44.33 93.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 70.22 110.252 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.735 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -65.96 -15.27 62.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 64.12 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.609 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.2 t80 -81.93 -44.81 16.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 64.42 110.95 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.57 -27.34 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.24 109.28 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.932 HD21 ' HG2' ' A' ' 461' ' ' LYS . 93.5 mt -40.33 -40.53 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 55.43 109.29 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.829 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 5.2 m-85 -113.14 -53.47 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.41 1.069 . . . . 62.21 110.967 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.609 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -51.88 95.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 72.43 109.329 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HE3' HG21 ' A' ' 34' ' ' THR . 5.1 mmtp -75.87 -67.06 0.71 Allowed 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.642 1.687 . . . . 74.24 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -69.38 -7.33 36.52 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 117.931 -1.033 . . . . 45.45 109.973 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 49.66 62.73 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 73.34 109.307 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 24.1 p-10 -97.17 -27.5 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 74.2 109.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 112.77 33.5 2.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 65.14 110.96 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.79 112.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 74.04 110.024 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.613 HD13 ' HB2' ' A' ' 19' ' ' PHE . 95.8 mt -92.0 102.64 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 71.31 109.277 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 p -66.87 175.11 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 53.42 110.02 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -72.2 -28.89 63.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 70.04 109.969 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -26.13 60.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 70.31 109.987 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.688 ' O ' HG22 ' A' ' 34' ' ' THR . 34.5 mt-10 -90.71 -38.04 13.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 64.23 110.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.081 HD22 HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -65.28 -52.63 52.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 72.31 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.735 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -66.01 -12.13 52.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 61.23 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -69.65 -30.37 68.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 53.2 110.41 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.539 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -82.84 -64.58 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 70.42 109.269 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.801 ' HE2' HD13 ' A' ' 41' ' ' LEU . 74.2 mtp -40.43 -53.41 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 63.31 111.015 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -62.07 -34.34 76.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.085 . . . . 75.52 110.32 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -66.51 -26.99 67.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 61.13 109.999 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.047 HD13 HG23 ' A' ' 465' ' ' ILE . 17.2 mt -79.16 -19.74 50.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 63.21 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.14 2.46 8.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 63.14 111.014 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.801 HD13 ' HE2' ' A' ' 36' ' ' MET . 17.6 mt -81.38 -174.62 5.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 0.719 . . . . 74.43 109.278 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.454 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 52.9 p -163.84 61.36 0.95 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 62.44 110.027 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.55 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.98 136.46 20.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 62.32 111.006 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -76.29 140.33 41.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 71.13 110.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 19.6 tt0 -51.67 -27.92 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 62.43 110.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.69 -49.62 75.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 73.51 109.299 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.708 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.6 mt-10 -74.76 -51.29 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 74.41 110.293 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.081 HG13 HD22 ' A' ' 32' ' ' LEU . 54.5 t -40.28 -32.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 70.51 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 91.9 m-20 -72.4 -63.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 65.32 109.324 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' HB3' HD13 ' A' ' 475' ' ' LEU . 23.6 t0 -52.38 -21.03 3.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 72.44 109.284 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.024 HD21 ' HE3' ' A' ' 471' ' ' MET . 5.3 tt -80.3 -62.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 64.52 109.309 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.411 ' HB3' HD13 ' A' ' 32' ' ' LEU . 9.0 ptm -63.2 -14.24 46.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 45.52 111.01 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -93.99 -9.96 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 62.22 109.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.639 ' C ' HD13 ' A' ' 55' ' ' ILE . 14.7 mt-10 -81.88 -12.69 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 65.24 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.799 HG21 ' HB2' ' A' ' 71' ' ' LEU . 1.8 mm -116.36 -41.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 73.13 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 3.3 t0 -39.0 120.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 64.12 109.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.617 HG23 ' HG2' ' A' ' 67' ' ' GLU . 65.1 t -81.83 -17.25 11.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 123.608 1.67 . . . . 75.02 109.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.3 p-10 -116.11 -7.91 11.84 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.885 -1.055 . . . . 74.1 109.976 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.37 41.44 93.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 62.3 111.017 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.435 ' ND2' ' HB2' ' A' ' 62' ' ' GLN . 29.7 p-10 -89.08 16.13 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 71.42 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.627 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 14.1 t-80 61.65 29.67 18.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 75.15 109.597 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 44.0 mt-30 -155.56 149.56 25.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 71.32 110.324 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.61 129.1 54.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 63.23 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.522 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -91.97 179.35 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 64.03 110.27 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.5 t80 -76.28 -12.44 60.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 64.13 110.978 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.6 t -94.97 -41.47 9.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 73.4 110.0 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.617 ' HG2' HG23 ' A' ' 57' ' ' VAL . 44.8 mt-10 -68.67 -50.47 50.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 71.42 110.322 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.495 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 88.6 t80 -56.95 -39.86 75.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 75.21 110.956 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.78 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -70.41 -34.04 72.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 75.13 109.322 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -75.85 -15.88 60.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 72.11 109.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.799 ' HB2' HG21 ' A' ' 55' ' ' ILE . 20.6 tp -74.02 -46.71 41.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 70.42 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.716 ' HG3' ' HZ3' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -57.42 -29.24 63.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 74.33 110.998 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 p -106.09 18.78 21.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 73.13 110.047 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 1.9 tmt_? -142.43 14.65 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 71.42 110.281 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.494 ' HG2' HD12 ' A' ' 71' ' ' LEU . 5.2 mm-40 -108.69 -75.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 72.31 110.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.75 HD22 ' CA ' ' A' ' 80' ' ' ASP . 0.7 OUTLIER -53.73 179.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 51.21 109.31 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -147.65 -84.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 54.24 109.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.48 -87.76 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 75.32 109.953 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.46 57.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 65.31 109.299 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.75 ' CA ' HD22 ' A' ' 76' ' ' LEU . 1.2 m-20 -52.12 -69.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -38.62 -66.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 65.32 110.043 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -39.89 -54.01 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 64.1 110.285 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -52.59 -61.29 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 54.35 110.264 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -63.34 -11.87 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 72.31 110.356 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.713 HD21 ' HA ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -80.27 -68.11 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 75.04 109.308 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 pp -46.67 -39.0 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 64.11 109.336 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 91' ' ' VAL . 6.6 mm-40 -67.27 -58.34 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 73.43 110.292 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.855 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -65.26 -12.1 48.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.54 109.251 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 85' ' ' LEU . 38.9 t80 -84.49 -55.85 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 51.44 110.983 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -75.31 -2.77 29.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 64.54 109.267 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 87' ' ' GLU . 12.6 t -94.05 -42.76 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.03 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.962 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.2 m-85 -77.2 -42.93 35.56 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.592 1.663 . . . . 60.52 111.003 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 0.3 OUTLIER -69.36 97.21 0.94 Allowed 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 117.901 -1.047 . . . . 72.02 110.003 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.37 -29.09 21.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 74.05 109.293 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.468 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -78.06 -44.8 25.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.31 109.321 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.87 77.13 1.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 72.24 111.011 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.64 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.15 9.6 2.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 72.04 109.282 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.871 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.03 18.19 74.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 73.24 111.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.871 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.4 mt -149.96 112.54 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 72.31 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 89' ' ' PHE . 54.7 mt -77.07 102.74 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 44.41 109.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 t -69.64 179.38 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 45.54 109.952 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.573 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -51.74 -66.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 55.4 109.278 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -41.31 -66.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.21 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 93' ' ' ASP . 29.2 mt-10 -39.28 -29.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 71.5 110.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.664 HD13 ' HE2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -88.3 -71.9 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 74.05 109.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.814 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -48.36 -61.19 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 73.42 109.267 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.766 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -41.8 -40.73 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 64.3 109.61 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.962 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -69.16 -44.07 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 63.14 109.322 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 106' ' ' LYS . 2.0 mm? -64.85 -23.08 67.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 63.13 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 m -86.54 -15.27 40.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 70.11 110.37 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.715 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -78.66 -10.24 59.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.14 110.007 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.041 HG21 HD11 ' A' ' 465' ' ' ILE . 4.3 pt -110.87 -26.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 74.34 109.262 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.99 -30.01 2.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 74.53 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' LEU . 18.3 mm-40 -65.5 115.19 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 71.01 110.258 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -111.94 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 72.3 109.342 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.893 HD23 ' HB3' ' A' ' 120' ' ' GLU . 4.4 mp -92.86 141.93 27.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 64.54 109.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLU . 82.6 p -70.8 151.14 45.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 71.22 110.395 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -48.15 -24.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 72.15 109.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.98 -41.24 23.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.21 109.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.893 ' HB3' HD23 ' A' ' 116' ' ' LEU . 35.2 mm-40 -62.84 -42.85 99.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 52.4 110.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.814 HG21 ' HG2' ' A' ' 106' ' ' LYS . 6.4 p -69.23 -52.38 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 72.22 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.537 ' HA ' HD12 ' A' ' 125' ' ' LEU . 11.2 t70 -55.57 -22.09 20.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 73.43 109.235 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.27 -36.8 13.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 62.24 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.492 ' HE3' ' HB2' ' A' ' 124' ' ' MET . 25.4 ttm -60.9 -33.45 73.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 64.22 110.976 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 122' ' ' ASP . 7.6 mt -65.63 -52.31 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 62.33 109.342 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 125' ' ' LEU . 40.9 mtt180 -37.16 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 72.44 110.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 125' ' ' LEU . 13.1 mm-40 -46.26 -50.6 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 61.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.645 ' HB ' ' HB3' ' A' ' 142' ' ' ALA . 23.1 m -129.91 13.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.04 109.339 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.0 p -103.1 2.93 35.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 50.34 109.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 129' ' ' SER . 38.9 t0 38.24 47.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 73.14 109.291 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.96 48.2 74.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 73.42 110.977 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 129' ' ' SER . 40.6 t -100.91 -77.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 75.42 109.949 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 154.85 -20.2 0.58 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.463 1.102 . . . . 71.14 110.985 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.421 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.2 mt-10 -143.09 165.06 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 73.1 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 9.4 pt -130.3 126.46 61.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 52.12 109.291 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.523 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.52 -177.69 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.0 109.248 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.644 HD12 HD12 ' A' ' 85' ' ' LEU . 5.2 tp -54.82 -18.6 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 60.35 109.322 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -87.3 -57.56 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 63.11 110.292 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 142' ' ' ALA . 55.0 mt-30 -65.45 -54.6 26.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 45.14 110.269 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.518 ' HZ ' ' HB1' ' A' ' 88' ' ' ALA . 26.0 t80 -47.99 -34.07 8.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 75.12 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.713 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -76.79 -28.97 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 44.11 109.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.645 ' HB3' ' HB ' ' A' ' 128' ' ' VAL . . . -60.83 -15.17 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 73.12 109.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.51 HD23 HH12 ' A' ' 459' ' ' ARG . 1.2 mt -79.72 -65.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 53.43 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.711 HD12 HD22 ' A' ' 85' ' ' LEU . 4.8 mt -50.82 -21.76 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 64.21 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.6 t -116.6 38.44 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 74.33 109.992 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -84.92 -80.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 71.43 109.26 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 50.31 21.25 4.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 74.23 111.016 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 85.7 p -90.7 -82.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 73.24 110.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.43 60.81 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 45.13 109.983 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.549 HG22 ' HB2' ' A' ' 455' ' ' ARG . 30.5 p -112.18 -66.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 74.04 110.392 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.456 ' N ' ' OG1' ' A' ' 150' ' ' THR . . . 68.41 44.79 72.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 34.34 111.022 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 453' ' ' THR . 2.1 m 64.12 45.91 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 61.21 110.405 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 12.4 mmm-85 -144.32 -56.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 71.31 110.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.549 ' HB2' HG22 ' A' ' 150' ' ' THR . 27.4 mmt180 -72.05 -35.2 69.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 74.04 110.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.428 ' CD ' ' HA ' ' A' ' 453' ' ' THR . 0.0 OUTLIER -50.7 -24.89 3.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 53.31 109.368 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 457' ' ' ALA . . . . . 0.476 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -91.95 -26.84 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 73.53 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 455' ' ' ARG . 0.9 OUTLIER -67.19 -43.57 81.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 73.42 109.294 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.51 HH12 HD23 ' A' ' 143' ' ' LEU . 5.6 ptp180 -80.65 -24.96 38.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 72.35 110.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.906 ' HA ' HD22 ' A' ' 463' ' ' LEU . 15.7 t30 -59.43 -29.74 67.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 73.51 109.328 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.932 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.21 -26.9 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 72.51 109.279 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.691 HG23 ' HE1' ' A' ' 92' ' ' PHE . 14.8 mt -87.14 -32.08 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 44.41 109.285 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.906 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.6 OUTLIER -51.79 -44.33 63.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 72.31 109.293 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.735 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -75.01 -59.6 2.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.33 109.282 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.047 HG23 HD13 ' A' ' 39' ' ' LEU . 13.1 mt -41.17 -30.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 63.13 109.321 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.855 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.93 -67.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 70.41 109.266 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.716 ' HZ3' ' HG3' ' A' ' 72' ' ' MET . 29.4 mtpt -48.12 -62.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 74.1 109.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.829 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 51.9 t -47.14 -44.75 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 60.45 109.29 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 24.7 t -67.24 -27.66 67.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 71.33 110.001 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.2 OUTLIER -81.65 -25.1 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 62.42 110.316 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 471' ' ' MET . . . . . 1.024 ' HE3' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -61.95 -26.21 68.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 74.14 111.01 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.638 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 31.8 t80 -75.43 -21.76 57.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 73.12 111.008 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -89.02 -11.11 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.14 110.012 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 48.8 t -101.45 -49.27 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 61.35 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.973 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -38.37 -37.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.15 109.309 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 73.12 110.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.988 -0.845 . . . . 61.54 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.0 m -105.75 140.99 37.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 42.23 109.991 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -56.07 111.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 63.44 109.989 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -89.67 14.59 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 71.42 109.339 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 4' ' ' LEU . 5.1 mt -87.26 174.42 8.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 63.34 109.31 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 p -125.0 167.75 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 71.22 110.392 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.32 -25.62 59.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 75.14 110.273 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -79.77 -21.91 43.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 72.42 110.344 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.415 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 11.5 mm100 -81.97 -29.22 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 65.12 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.924 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 3.4 mm -65.74 -30.9 51.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.52 -12.38 61.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 44.42 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 12.2 mm-40 -75.71 -68.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 53.53 110.293 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.478 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 45.6 m-85 -47.21 -23.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 75.04 111.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 1.1 mttt -52.44 -42.0 63.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 71.54 109.319 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.65 -59.63 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 52.4 110.303 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.004 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -51.97 -23.61 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 51.4 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 1.7 t80 -74.51 -39.62 62.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 73.34 110.97 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.67 -18.04 51.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 75.53 109.33 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.605 HD21 ' HG2' ' A' ' 461' ' ' LYS . 40.3 mt -56.33 -43.76 79.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 64.3 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.723 ' CZ ' HG21 ' A' ' 468' ' ' VAL . 17.9 m-85 -104.79 -47.59 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 62.25 110.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.601 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -60.08 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 50.33 109.267 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' PHE . 41.7 mmtt -61.08 -67.26 0.42 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.629 1.681 . . . . 75.51 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.87 -13.7 60.27 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.896 -1.049 . . . . 73.03 109.992 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 59.24 58.73 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 64.35 109.285 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.5 p30 -91.92 -22.89 19.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 65.5 109.321 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.21 32.74 2.93 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 35.3 110.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 p -168.76 112.08 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.757 . . . . 73.45 109.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 43.7 mt -92.27 101.56 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 74.24 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -67.81 163.25 22.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 60.21 110.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.62 ' O ' HG11 ' A' ' 48' ' ' VAL . 1.5 t -59.1 -18.07 32.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 73.34 109.958 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.34 -20.85 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 60.32 109.989 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.735 ' O ' HG22 ' A' ' 34' ' ' THR . 44.1 mt-10 -90.56 -35.98 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 75.14 110.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.041 HD22 HG13 ' A' ' 48' ' ' VAL . 2.9 tt -68.51 -46.79 68.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 70.53 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.603 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -69.87 -12.43 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 62.03 109.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -69.68 -24.49 63.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 62.43 110.382 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.523 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.0 t -91.36 -59.46 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 64.13 109.267 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.53 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 85.3 mtp -42.79 -57.37 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 64.15 111.015 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -57.37 -26.76 61.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 75.02 110.326 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' VAL . 1.4 t -76.35 -29.19 57.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 74.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.051 HD13 HG23 ' A' ' 465' ' ' ILE . 15.0 mt -76.97 -20.73 55.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 70.03 109.31 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.09 2.71 8.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 53.54 111.009 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.9 mt -80.43 -177.16 6.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 52.33 109.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 92.0 p -162.57 60.39 1.03 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 63.33 110.018 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.99 154.82 42.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 72.33 111.0 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -94.97 139.89 30.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 71.25 110.025 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.5 tt0 -46.3 -27.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 75.13 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.94 -47.54 74.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 70.24 109.309 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.595 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.0 OUTLIER -75.1 -51.86 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 73.23 110.319 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.041 HG13 HD22 ' A' ' 32' ' ' LEU . 52.5 t -39.96 -30.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 54.05 109.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' ASN . 89.7 m-20 -77.88 -63.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 71.35 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -48.07 -23.15 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 73.33 109.277 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.797 HD21 ' HB3' ' A' ' 471' ' ' MET . 1.4 tm? -76.38 -59.42 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 71.32 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.588 ' HB2' HD11 ' A' ' 63' ' ' ILE . 9.4 ptm -74.33 -4.11 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 61.33 111.022 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.6 m-80 -90.15 -8.15 51.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 62.31 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.614 ' C ' HD13 ' A' ' 55' ' ' ILE . 2.6 mt-10 -95.65 -6.02 41.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 71.31 110.33 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.628 HD12 ' CD1' ' A' ' 71' ' ' LEU . 2.0 mm -117.65 -41.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 72.21 109.314 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 2.9 t0 -39.21 119.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 71.12 109.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 64.6 t -91.7 -13.22 8.95 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 CA-C-O 123.632 1.682 . . . . 72.3 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.1 p30 -117.46 -6.89 11.19 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.909 -1.043 . . . . 73.42 110.009 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.27 42.46 88.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 64.34 111.004 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.418 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 35.0 p-10 -93.84 12.97 24.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 71.13 109.309 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.658 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 7.8 t-80 64.79 28.25 12.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 74.41 109.576 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.435 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 41.8 mt-30 -152.13 174.69 13.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 64.43 110.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.588 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -122.8 128.83 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 73.31 109.327 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -93.46 172.99 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 63.14 110.288 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.924 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.3 t80 -74.05 -12.37 60.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 71.45 110.98 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.4 t -90.6 -45.63 8.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.21 109.993 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 11.6 mt-10 -69.36 -52.16 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 74.12 110.278 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -52.83 -44.38 66.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.44 111.011 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.792 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.79 -34.29 75.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 74.42 109.255 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.37 62.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 71.21 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.96 HD21 ' SD ' ' A' ' 471' ' ' MET . 6.0 tp -62.7 -52.97 61.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 65.13 109.316 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -59.81 -13.34 10.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 74.55 110.975 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.3 t -126.46 29.42 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 65.03 110.003 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -135.59 -63.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.12 110.318 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -75.14 61.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 72.42 110.263 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.508 ' HB2' ' CB ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -158.0 135.21 10.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 72.54 109.288 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -130.57 -86.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 72.31 109.279 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.5 m -114.03 -74.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 72.3 110.003 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -80.78 53.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 62.4 109.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.508 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -85.8 -80.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 72.44 109.311 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' ASP . 8.4 t -37.74 -55.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 71.31 109.995 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -40.99 -44.87 2.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 73.3 110.272 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER -56.7 -64.06 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 65.31 110.305 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.567 ' HB2' ' HB1' ' A' ' 466' ' ' ALA . 7.1 pt-20 -61.69 -13.25 21.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 54.51 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -78.33 -61.53 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 43.42 109.242 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -58.58 -35.8 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 60.22 109.291 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.562 ' HA ' ' HZ2' ' A' ' 90' ' ' LYS . 5.5 mm-40 -70.23 -56.58 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 65.12 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -63.0 -15.46 56.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 73.35 109.255 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 26.5 t80 -81.99 -42.61 19.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 52.43 110.96 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.562 ' HZ2' ' HA ' ' A' ' 87' ' ' GLU . 13.6 pttp -82.35 -23.24 35.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 74.34 109.309 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -74.19 -44.08 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.43 109.301 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.861 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 1.7 m-85 -67.93 -38.64 83.12 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.609 1.671 . . . . 74.41 110.977 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.3 OUTLIER -72.76 103.83 3.78 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.896 -1.049 . . . . 62.32 109.972 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.546 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -86.99 -34.64 19.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 71.34 109.318 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.25 -45.98 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.34 109.269 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.24 78.64 1.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 72.24 111.007 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.607 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.58 11.53 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 75.2 109.265 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.878 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.44 18.41 75.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.123 . . . . 54.41 111.007 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.5 mt -150.02 110.84 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 65.33 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.59 HD13 ' CB ' ' A' ' 92' ' ' PHE . 53.5 mt -74.95 102.98 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 61.34 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.0 t -68.07 175.99 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 64.35 109.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.64 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -48.45 -69.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 74.11 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 105' ' ' LEU . . . -42.57 -64.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 52.43 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.41 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 35.8 mt-10 -39.3 -28.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 73.34 110.302 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.683 HD13 HD11 ' A' ' 135' ' ' ILE . 3.3 tp -91.27 -72.4 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 71.04 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.881 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.9 -61.01 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 70.42 109.303 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.761 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.67 -42.94 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 63.15 109.546 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.861 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.2 t -65.85 -42.2 91.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 54.14 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.536 HD22 HG12 ' A' ' 108' ' ' VAL . 3.3 mm? -69.65 -20.79 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 55.33 109.318 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' LYS . 86.5 m -84.24 -12.7 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 73.3 110.385 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.781 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -82.11 -6.92 59.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 74.14 109.957 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.081 HG21 HD11 ' A' ' 465' ' ' ILE . 10.3 pt -112.18 -32.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 71.23 109.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.47 -31.44 0.94 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 70.33 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' HG3' ' CD ' ' A' ' 461' ' ' LYS . 5.1 mm-40 -63.67 104.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 73.23 110.31 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -102.64 91.9 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.13 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 120' ' ' GLU . 60.8 mt -104.57 141.8 35.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 72.2 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.5 p -76.13 -174.61 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 61.42 110.387 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -76.98 -18.2 58.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 63.24 109.311 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.72 -37.12 14.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 64.41 109.324 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.772 ' HB3' HD22 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -71.24 -31.37 67.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.12 110.285 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.881 HG21 ' HG2' ' A' ' 106' ' ' LYS . 9.0 p -83.87 -52.02 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 72.32 109.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.615 ' HA ' HD12 ' A' ' 125' ' ' LEU . 6.8 t70 -52.42 -20.87 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 74.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -90.62 -28.67 18.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 72.14 109.309 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.54 ' SD ' HD21 ' A' ' 105' ' ' LEU . 21.5 ttm -73.87 -32.53 63.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 73.22 110.985 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 122' ' ' ASP . 8.6 mt -65.02 -53.83 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 74.55 109.306 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' LEU . 19.7 mtt-85 -37.42 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 61.11 110.323 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 125' ' ' LEU . 74.4 mt-10 -46.36 -50.43 16.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.02 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.468 HG11 ' CB ' ' A' ' 142' ' ' ALA . 24.7 m -132.14 13.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 61.52 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.2 p -98.76 7.99 45.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 55.21 110.043 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 32.9 t70 39.57 42.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 72.41 109.313 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.29 46.6 92.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 34.21 111.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' SER . 31.8 t -104.27 -76.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 74.45 109.96 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.421 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 149.85 -16.92 1.08 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 75.1 111.001 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.448 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 22.6 mt-10 -136.66 160.11 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 63.41 110.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.683 HD11 HD13 ' A' ' 105' ' ' LEU . 2.2 pt -127.62 124.27 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 73.03 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.641 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -90.73 -179.13 5.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 74.22 109.334 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.92 HG23 ' OE1' ' A' ' 138' ' ' GLN . 3.0 tp -54.35 -19.06 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 71.25 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.92 ' OE1' HG23 ' A' ' 137' ' ' ILE . 13.9 mm100 -87.98 -52.1 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 75.42 110.267 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.689 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 23.1 mt-30 -69.36 -57.45 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 74.45 110.302 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.413 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 38.4 t80 -41.27 -53.67 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 75.2 111.022 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 1.019 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -51.14 -37.4 45.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.41 109.33 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -45.55 -43.62 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 64.02 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.3 mt -62.71 -44.11 97.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 74.11 109.362 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.876 HD12 HD22 ' A' ' 85' ' ' LEU . 7.5 mt -86.71 11.3 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 75.25 109.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 141' ' ' ALA . 17.1 m -127.0 -85.06 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 62.25 109.977 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 142' ' ' ALA . 9.9 tptm -99.22 -77.14 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 64.22 109.257 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 146' ' ' LYS . . . 100.66 -124.64 8.31 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.117 . . . . 51.15 111.026 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.1 m -166.93 101.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 71.2 109.997 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.1 t 65.23 57.67 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 54.41 109.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 11.7 p -103.85 93.78 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 62.33 110.399 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.69 -88.22 1.62 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 60.15 111.02 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 7.0 m -131.58 5.78 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 60.43 110.421 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -122.05 -52.41 1.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 65.42 110.278 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.482 ' CZ ' ' OE1' ' A' ' 127' ' ' GLU . 1.1 mmt85 -74.6 -18.5 60.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 72.14 110.335 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -12.79 59.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.3 109.316 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -84.45 -16.57 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 71.43 109.337 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -53.73 26.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 53.31 109.314 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -59.53 -34.63 72.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 70.45 110.276 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.596 ' HA ' HD12 ' A' ' 463' ' ' LEU . 11.8 t30 -57.65 -46.25 84.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 53.1 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.653 ' O ' HD12 ' A' ' 465' ' ' ILE . 3.1 ttmt -48.24 -32.43 7.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 72.13 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.645 HG23 ' HE1' ' A' ' 92' ' ' PHE . 17.9 mt -86.46 -33.26 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 74.22 109.284 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 460' ' ' ASN . 74.8 mt -48.99 -44.86 41.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 62.52 109.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 1.004 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -73.48 -58.01 3.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 61.33 109.307 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.081 HD11 HG21 ' A' ' 112' ' ' ILE . 13.4 mt -43.15 -30.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 74.02 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.84 -72.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 63.43 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.468 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 15.1 mmtt -36.6 -68.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 73.13 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.723 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 21.1 t -40.0 -44.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 63.01 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 466' ' ' ALA . 8.7 t -66.47 -68.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 74.14 109.991 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.471 ' HD3' ' CG2' ' A' ' 474' ' ' VAL . 0.2 OUTLIER -36.22 -47.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 72.1 110.309 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.96 ' SD ' HD21 ' A' ' 71' ' ' LEU . 27.6 mtp -47.59 -48.07 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 73.21 111.014 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 43' ' ' PRO . 14.3 t80 -55.54 -28.79 56.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 73.12 111.041 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.3 t -79.84 -19.94 47.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 73.54 110.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.471 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 59.0 t -87.5 -54.09 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 72.31 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -39.57 -31.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 70.34 109.252 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 476' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 73.21 110.293 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.982 -0.847 . . . . 50.11 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m -138.6 114.13 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 65.44 110.024 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -66.59 89.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 73.03 109.976 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -91.31 16.28 10.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 74.5 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' N ' HD23 ' A' ' 4' ' ' LEU . 4.7 mt -72.55 156.31 39.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 73.31 109.311 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.7 p -111.97 159.84 18.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 75.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -42.01 -38.58 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 54.15 110.268 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.19 -44.86 82.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 73.15 110.291 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 5' ' ' THR . 18.1 mm100 -57.81 -29.12 64.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 73.33 110.304 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.776 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 1.1 mm -73.65 -22.96 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.04 109.291 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.3 -13.02 59.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 50.34 109.258 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -75.5 -69.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 74.2 110.303 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 49.4 m-85 -43.77 -26.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.3 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -51.96 -47.04 64.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 65.42 109.286 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.546 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 7.8 mm-40 -65.52 -49.12 70.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 64.22 110.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -60.06 -17.15 37.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 75.31 109.306 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 1.8 t80 -79.36 -40.5 30.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 73.44 111.01 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.98 68.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 70.32 109.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.902 HD21 ' HG2' ' A' ' 461' ' ' LYS . 63.2 mt -40.11 -41.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 61.33 109.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.759 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 6.3 m-85 -110.7 -53.05 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 63.23 111.045 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -53.31 90.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 73.1 109.316 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' PHE . 33.3 mmtt -68.3 -67.05 0.49 Allowed 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 123.615 1.674 . . . . 74.34 109.273 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -74.36 -5.99 45.55 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.88 -1.057 . . . . 63.22 109.977 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 50.46 55.88 8.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 74.32 109.332 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.7 p30 -88.11 -22.13 24.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 64.41 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.82 32.6 3.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 61.33 111.019 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.6 p -168.83 112.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 72.45 110.022 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 19' ' ' PHE . 74.4 mt -91.12 101.83 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 74.12 109.323 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 p -64.02 165.14 9.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 74.03 110.014 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -16.17 62.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 71.12 109.95 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.79 -25.05 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 54.41 110.023 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -90.63 -31.45 16.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 63.22 110.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.976 HD22 HG13 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -72.01 -45.81 59.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 64.2 109.281 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.687 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -74.13 -12.64 60.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 60.54 109.35 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -23.31 62.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 71.2 110.39 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.533 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -91.49 -56.54 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 65.1 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.59 ' HE2' HD13 ' A' ' 41' ' ' LEU . 60.1 mtp -42.11 -50.08 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 74.1 111.008 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -65.17 -34.65 78.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 71.35 110.282 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' VAL . 7.2 p -60.98 -17.53 52.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 73.54 110.015 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.893 HD13 HG23 ' A' ' 465' ' ' ILE . 17.1 mt -91.98 -15.96 27.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 73.33 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.84 7.3 8.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.153 . . . . 55.34 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.59 HD13 ' HE2' ' A' ' 36' ' ' MET . 8.3 mt -86.95 -177.54 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 65.34 109.286 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -163.94 60.87 0.89 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 72.01 109.99 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.1 Cg_endo -75.01 139.39 24.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 74.5 110.997 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.35 140.09 38.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 53.24 109.995 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -53.11 -27.52 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 70.21 110.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.81 76.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 64.04 109.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.587 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.3 mt-10 -75.32 -50.03 17.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 71.25 110.334 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.976 HG13 HD22 ' A' ' 32' ' ' LEU . 39.1 t -39.81 -42.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 74.35 109.255 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.432 ' C ' ' N ' ' A' ' 51' ' ' LEU . 90.5 m-20 -68.21 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 51.55 109.274 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.763 ' OD1' HD13 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -47.57 -23.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 63.21 109.308 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 471' ' ' MET . 0.0 OUTLIER -77.97 -68.16 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 61.44 109.293 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.535 ' HB2' HD11 ' A' ' 63' ' ' ILE . 9.1 ptm -60.39 -12.3 9.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 65.24 110.979 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 0.8 OUTLIER -77.66 -7.63 56.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 73.52 109.277 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -96.18 -15.59 21.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 64.45 110.262 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.64 HD12 HD12 ' A' ' 71' ' ' LEU . 3.4 mm -106.2 -46.18 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 72.52 109.317 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 7.0 t0 -38.14 117.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 32.03 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -89.73 -19.17 7.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 123.577 1.656 . . . . 75.04 109.266 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 41.2 p-10 -108.25 -5.91 16.61 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.913 -1.041 . . . . 75.41 109.951 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.484 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 52.28 42.93 56.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 65.12 111.025 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 35.3 p-10 -95.05 12.27 29.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 72.43 109.313 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.651 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 9.6 t-80 65.85 30.48 9.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 72.2 109.605 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 53.2 mt-30 -153.77 -179.93 8.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 62.32 110.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.535 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -128.57 129.49 68.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 73.24 109.294 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 5.1 mt-10 -94.69 175.42 6.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 74.32 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.776 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 2.2 t80 -73.63 -12.88 60.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 64.21 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.0 m -92.37 -46.81 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 72.44 109.982 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.2 -47.59 76.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 73.51 110.301 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -57.98 -40.52 80.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 75.42 110.998 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.74 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -74.05 -30.16 62.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 62.22 109.309 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.72 -15.65 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 74.24 109.337 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.64 HD12 HD12 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -70.42 -49.57 47.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 73.32 109.292 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 1.015 ' O ' HD23 ' A' ' 76' ' ' LEU . 6.5 mmt -59.43 -31.6 69.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 75.34 111.035 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.5 p -91.15 17.39 8.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 52.04 109.961 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.45 -41.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 73.5 110.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.448 ' O ' ' NZ ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -102.28 71.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 62.05 110.342 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.015 HD23 ' O ' ' A' ' 72' ' ' MET . 0.2 OUTLIER -177.15 121.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 71.52 109.295 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -153.93 -84.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 75.22 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.9 t -82.95 -67.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 72.11 110.018 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -93.82 33.78 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 73.33 109.34 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.51 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -48.37 -93.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 63.33 109.278 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.478 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 8.6 t -46.86 -53.75 11.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 71.14 110.001 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -38.5 -45.0 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 62.41 110.285 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 2.9 mm100 -61.15 -62.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 74.45 110.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.551 ' HA ' ' HB1' ' A' ' 466' ' ' ALA . 11.1 pt-20 -62.73 -11.47 17.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.42 110.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.036 HD22 HD12 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -83.4 -55.81 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 65.35 109.313 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 87' ' ' GLU . 2.8 pp -65.94 -46.1 79.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 75.42 109.307 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.528 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 22.2 mm-40 -57.58 -35.13 69.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 74.33 110.345 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.898 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -85.34 -25.74 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 74.33 109.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HA ' HD11 ' A' ' 100' ' ' ILE . 14.0 t80 -64.14 -62.7 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 72.22 110.978 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -62.97 -37.33 86.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 72.21 109.34 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 2.1 t -54.17 -59.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 62.34 109.336 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.937 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.8 m-85 -59.76 -44.54 93.8 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 123.613 1.673 . . . . 71.31 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -69.86 99.73 1.43 Allowed 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.893 -1.051 . . . . 72.31 110.001 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -31.16 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 74.4 109.322 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -77.39 -44.74 28.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 72.51 109.286 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.61 78.86 1.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 73.11 111.014 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.668 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.0 11.36 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 64.13 109.31 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.728 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.09 15.47 72.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.087 . . . . 14.4 110.973 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.1 mt -147.59 111.5 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 73.21 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.618 HD13 ' CB ' ' A' ' 92' ' ' PHE . 64.9 mt -76.13 102.07 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 53.35 109.257 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.0 t -65.98 175.2 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 73.11 109.966 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -49.7 -67.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 54.54 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -42.21 -65.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 74.02 109.277 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ALA . 35.3 mt-10 -38.91 -28.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 72.15 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.897 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -90.94 -72.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 70.42 109.31 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.605 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.35 -58.72 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 74.24 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.723 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.97 -39.07 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.33 109.58 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.937 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -69.87 -56.25 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 71.42 109.326 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.467 HD12 ' CB ' ' A' ' 114' ' ' GLU . 3.6 mm? -49.32 -32.75 11.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 74.03 109.333 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.2 m -78.4 -27.75 46.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 73.24 110.416 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.724 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -64.95 -11.51 39.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 73.33 109.959 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.058 HG21 HD11 ' A' ' 465' ' ' ILE . 17.0 pt -112.65 -33.29 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 74.4 109.265 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 115' ' ' LYS . . . 153.68 -35.6 0.74 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 35.01 111.011 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.467 ' CB ' HD12 ' A' ' 109' ' ' LEU . 4.5 mm-40 -59.05 108.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 71.21 110.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 113' ' ' GLY . 16.6 mttt -109.82 91.1 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 73.23 109.294 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' ' 120' ' ' GLU . 4.8 mp -98.78 142.64 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 63.25 109.312 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.5 p -72.44 153.32 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 71.41 110.395 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -51.33 -22.7 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 54.14 109.328 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.21 -40.56 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 74.25 109.283 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.672 ' HB3' HD23 ' A' ' 116' ' ' LEU . 21.9 mm-40 -63.96 -47.02 82.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 73.14 110.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.605 HG21 ' HG2' ' A' ' 106' ' ' LYS . 2.3 p -65.67 -50.06 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 61.01 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.517 ' HA ' HD12 ' A' ' 125' ' ' LEU . 7.8 t70 -48.92 -23.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 71.44 109.239 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.06 -34.32 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 62.24 109.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' VAL . 6.0 tpp -61.21 -39.1 88.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 75.23 111.001 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 122' ' ' ASP . 2.5 mt -63.57 -57.35 10.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 73.12 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 125' ' ' LEU . 24.3 mtt-85 -37.36 -30.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 74.33 110.272 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 125' ' ' LEU . 97.1 mt-10 -46.49 -50.87 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 71.14 110.301 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 22.1 m -132.37 14.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 75.33 109.274 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.2 p -99.96 8.77 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.23 110.033 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 129' ' ' SER . 26.2 t0 38.91 46.58 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 62.44 109.293 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.1 46.95 68.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 74.1 111.034 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' SER . 30.1 t -104.65 -77.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 73.1 109.965 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 151.58 -18.33 0.88 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 73.4 111.02 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 21.8 mt-10 -135.25 157.97 45.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 75.42 110.362 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.897 HD11 ' CD1' ' A' ' 105' ' ' LEU . 5.5 pt -127.24 127.37 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 72.42 109.309 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.629 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -93.91 177.72 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 70.24 109.317 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.449 ' CD1' HD12 ' A' ' 85' ' ' LEU . 10.7 tp -49.61 -22.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 74.23 109.341 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 136' ' ' ASN . 4.4 mm-40 -83.78 -55.75 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 53.42 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.716 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 43.1 mt-30 -68.28 -57.09 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 73.13 110.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.451 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 44.5 t80 -41.43 -52.72 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 74.3 110.998 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.985 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -56.19 -36.22 68.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 74.35 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -45.48 -34.48 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 63.23 109.287 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.412 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.1 mt -68.92 -46.63 67.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 54.34 109.314 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.036 HD12 HD22 ' A' ' 85' ' ' LEU . 2.9 mt -69.74 -8.04 44.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 72.02 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t -131.26 43.65 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 72.22 110.002 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.52 83.4 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 65.44 109.26 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -118.04 77.98 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.563 1.165 . . . . 61.02 111.032 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.9 m -148.12 -47.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 71.3 110.022 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.409 ' O ' ' OG ' ' A' ' 149' ' ' SER . 6.1 p -116.2 54.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 52.32 110.029 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.734 HG22 ' HB2' ' A' ' 455' ' ' ARG . 23.9 p -109.0 -69.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 71.12 110.37 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.503 ' N ' ' OG1' ' A' ' 150' ' ' THR . . . 66.27 32.34 81.81 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.533 1.146 . . . . 61.24 111.007 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 151' ' ' GLY . 1.5 m 83.01 32.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 0.795 . . . . 75.33 110.399 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.33 -49.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 74.32 110.285 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.734 ' HB2' HG22 ' A' ' 150' ' ' THR . 26.8 mmt-85 -88.72 -15.16 35.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 75.43 110.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.402 ' NZ ' ' CB ' ' A' ' 456' ' ' LYS . 0.0 OUTLIER -83.91 -21.31 31.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 73.31 109.275 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 457' ' ' ALA . . . . . 0.546 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -91.91 -16.1 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 61.01 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -53.18 7.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 75.13 109.34 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 460' ' ' ASN . 4.0 ptp180 -61.23 -38.22 85.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 73.01 110.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.617 ' HA ' HD12 ' A' ' 463' ' ' LEU . 2.7 t-20 -58.39 -34.01 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 64.55 109.291 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.902 ' HG2' HD21 ' A' ' 18' ' ' LEU . 6.7 ttmt -56.82 -28.43 61.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 71.03 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.704 HG23 ' HE1' ' A' ' 92' ' ' PHE . 23.1 mt -89.79 -41.93 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 71.45 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 460' ' ' ASN . 92.7 mt -40.55 -38.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 74.2 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.496 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -76.6 -58.1 3.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 63.11 109.342 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.058 HD11 HG21 ' A' ' 112' ' ' ILE . 9.0 mt -41.2 -29.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 72.31 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.898 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -81.33 -72.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 70.45 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.526 ' HB2' ' HE1' ' A' ' 72' ' ' MET . 3.9 mttm -49.44 -61.34 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.21 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.759 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 75.8 t -38.87 -37.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 73.15 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.75 -54.29 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 75.54 109.981 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.1 OUTLIER -51.21 -39.94 57.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 73.54 110.296 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.805 ' HB3' HD11 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -45.56 -33.94 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 74.25 111.022 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 28.9 t80 -87.16 -24.24 24.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 74.44 111.005 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 470' ' ' ARG . 43.8 t -88.31 -5.31 58.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 53.13 110.007 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 475' ' ' LEU . 14.8 p -107.1 -46.61 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 50.02 109.28 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.763 HD13 ' OD1' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -40.03 -35.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 61.24 109.31 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 72.12 110.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.968 -0.853 . . . . 32.51 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 m -112.59 125.09 53.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.74 . . . . 71.4 109.966 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -156.1 151.14 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 60.43 110.021 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.79 22.76 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 73.53 109.304 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.877 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 6.5 mt -83.8 163.48 20.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 43.15 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 8.0 p -119.83 161.87 20.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 73.13 110.413 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -44.21 -38.87 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.31 110.338 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.71 -38.29 88.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 72.31 110.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.521 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 20.9 mm100 -68.29 -31.65 71.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 61.21 110.31 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.625 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 3.8 mm -64.97 -22.84 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 53.41 109.32 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.07 -12.71 49.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 63.54 109.318 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 77.0 mt-10 -76.48 -57.72 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.15 110.278 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.877 ' CZ ' HD13 ' A' ' 4' ' ' LEU . 26.2 m-85 -58.92 -14.63 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.51 110.971 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.467 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 12.5 mtmt -61.98 -28.56 69.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 74.02 109.338 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -79.92 -52.18 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 62.55 110.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.842 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -56.82 -17.69 10.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 73.42 109.26 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.3 t80 -78.73 -40.08 34.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 72.21 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -19.41 59.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 74.13 109.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.649 ' CD2' HD12 ' A' ' 112' ' ' ILE . 54.4 mt -50.69 -40.83 54.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.44 109.299 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 4.5 m-85 -110.05 -34.76 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 74.23 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -69.69 84.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.5 109.284 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.669 ' HE3' HG21 ' A' ' 34' ' ' THR . 24.4 mmtt -62.06 -66.86 0.47 Allowed 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 123.656 1.693 . . . . 75.42 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.455 ' OD1' ' CB ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.65 -8.93 58.03 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.854 -1.07 . . . . 62.23 109.963 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 54.0 57.78 5.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 71.31 109.304 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.455 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . 10.8 p30 -91.92 -20.01 21.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 74.35 109.277 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.41 34.69 3.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 63.45 110.98 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 p -168.71 112.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 0.755 . . . . 63.43 110.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.535 HD13 ' HB2' ' A' ' 19' ' ' PHE . 59.7 mt -94.39 100.41 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 61.41 109.256 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 p -65.58 162.31 18.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 34.44 110.0 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 t -57.45 -17.07 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.22 110.022 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.2 -22.66 21.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 72.22 109.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -90.39 -30.0 17.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.43 110.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.964 HD22 HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -75.08 -49.27 20.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 74.12 109.319 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.717 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -70.69 -12.37 61.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 71.15 109.29 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.669 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -68.39 -24.08 64.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 52.44 110.369 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.1 t -91.45 -61.79 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 71.04 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.526 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 98.9 mtp -39.03 -57.65 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 75.13 111.041 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -51.97 -41.44 62.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 64.15 110.33 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' VAL . 6.2 p -55.56 -36.56 66.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 74.12 109.979 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.927 HD13 HG23 ' A' ' 465' ' ' ILE . 17.8 mt -68.55 -21.3 64.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 62.35 109.296 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.02 2.13 8.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 64.15 110.977 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -79.01 -177.16 5.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 72.24 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.488 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 27.9 t -162.32 60.15 1.04 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 21.23 109.976 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.05 140.81 25.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 53.34 111.005 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -81.57 140.22 34.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 72.12 109.996 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -52.75 -27.26 17.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 62.43 110.297 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.67 -49.41 75.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 64.2 109.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 49' ' ' ASN . 1.9 mt-10 -74.94 -51.62 13.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 74.23 110.277 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.964 HG13 HD22 ' A' ' 32' ' ' LEU . 54.6 t -40.18 -29.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 73.44 109.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 47' ' ' GLU . 83.4 m-20 -76.1 -67.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 52.43 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -46.62 -24.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 75.44 109.321 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.886 ' HB2' HD22 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -76.37 -68.58 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 71.2 109.287 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.466 ' HB2' HD11 ' A' ' 63' ' ' ILE . 8.5 ptm -61.24 -11.8 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 60.4 110.962 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -78.38 -7.83 57.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 71.1 109.314 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.604 ' C ' HD13 ' A' ' 55' ' ' ILE . 12.8 mm-40 -95.45 -11.89 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 60.44 110.316 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.719 HG21 ' HB2' ' A' ' 71' ' ' LEU . 1.3 mm -107.97 -49.48 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 64.31 109.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 6.5 t0 -39.18 119.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 75.42 109.272 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.606 HG23 ' HG2' ' A' ' 67' ' ' GLU . 73.2 t -86.38 -27.88 6.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 123.592 1.663 . . . . 55.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.9 p-10 -100.77 -6.67 24.6 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.892 -1.052 . . . . 70.34 109.998 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.499 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.9 42.28 79.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 54.51 111.027 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.405 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 32.9 p-10 -92.68 11.66 25.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 74.11 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.661 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 9.6 t-80 66.03 33.28 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 73.53 109.586 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 51.3 mt-30 -156.07 165.06 37.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 71.31 110.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.466 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -114.69 128.77 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 60.44 109.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -95.93 175.93 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 71.53 110.278 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.625 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 2.3 t80 -71.28 -13.14 61.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 71.3 110.99 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -91.8 -43.36 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 73.31 109.979 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.606 ' HG2' HG23 ' A' ' 57' ' ' VAL . 26.7 mt-10 -69.05 -52.35 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 60.31 110.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -52.5 -44.32 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 72.55 111.006 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.793 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -69.91 -34.45 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 74.14 109.33 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.84 -15.64 60.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 73.41 109.326 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.719 ' HB2' HG21 ' A' ' 55' ' ' ILE . 36.6 tp -75.28 -46.29 34.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 72.55 109.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.424 ' CE ' ' HD3' ' A' ' 467' ' ' LYS . 2.4 mmt -48.08 -36.96 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 63.22 110.998 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.3 p -76.09 -28.06 57.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 73.42 109.955 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -119.09 65.42 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 73.4 110.317 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.481 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -127.33 -43.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 65.01 110.28 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.788 HD22 ' C ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -105.89 -173.94 2.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 64.33 109.344 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.48 -83.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 74.52 109.319 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -83.14 -91.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 72.13 109.951 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -71.38 68.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 73.32 109.335 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.788 ' C ' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -57.51 -71.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 75.44 109.28 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.491 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 1.2 p -53.67 -44.39 69.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 63.25 110.028 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.454 ' CB ' ' HB2' ' A' ' 79' ' ' ASN . 2.7 mt-10 -63.41 -16.2 59.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 64.23 110.269 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.507 ' OE1' ' CZ ' ' A' ' 470' ' ' ARG . 0.0 OUTLIER -92.93 -64.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 72.43 110.315 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' CG ' ' HA ' ' A' ' 81' ' ' SER . 0.3 OUTLIER -45.89 -36.64 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 71.44 110.298 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.927 ' HG ' HD12 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -71.23 -67.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 70.1 109.32 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -40.49 -36.25 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 73.53 109.312 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.619 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.1 mm-40 -73.13 -48.94 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 72.21 110.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.674 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -67.94 -16.28 63.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 64.03 109.335 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 85' ' ' LEU . 12.4 t80 -73.75 -64.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 74.12 110.991 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -65.5 -30.24 70.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 32.15 109.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 87' ' ' GLU . 5.9 t -61.43 -54.67 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 74.43 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.937 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.9 m-85 -65.0 -45.89 83.72 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.62 1.676 . . . . 70.04 111.016 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.19 98.77 0.83 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.906 -1.045 . . . . 74.23 109.968 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.94 -29.25 22.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 65.33 109.285 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.444 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -79.09 -42.95 25.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 63.24 109.299 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.58 77.46 1.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 63.41 110.987 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.741 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -137.26 8.84 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 71.21 109.329 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.457 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 71.55 11.61 72.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 71.45 111.027 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.758 HD23 ' HB3' ' A' ' 136' ' ' ASN . 2.2 mt -144.28 113.74 7.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 71.42 109.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.554 HD13 ' CB ' ' A' ' 92' ' ' PHE . 57.1 mt -76.8 104.84 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 72.01 109.282 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.4 t -67.37 -175.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 63.31 109.956 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.49 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -56.91 -70.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 72.33 109.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.82 -66.22 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 62.2 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 103' ' ' ALA . 33.9 mt-10 -38.32 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 75.3 110.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.763 HD13 HD11 ' A' ' 135' ' ' ILE . 3.9 tp -89.73 -71.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 71.23 109.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.844 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -47.25 -60.66 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 73.32 109.332 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.585 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.56 -41.43 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 52.42 109.602 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.937 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.3 t -67.07 -42.97 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 72.35 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.611 HD12 ' CB ' ' A' ' 114' ' ' GLU . 2.5 mm? -60.93 -38.21 85.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 73.13 109.259 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.5 m -77.54 -27.05 51.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 71.54 110.413 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -65.13 -12.45 51.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 75.43 110.022 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.829 HG21 HD11 ' A' ' 465' ' ' ILE . 12.0 pt -112.8 -32.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 75.42 109.332 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 154.92 -35.35 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 63.13 111.023 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.611 ' CB ' HD12 ' A' ' 109' ' ' LEU . 7.7 mm-40 -61.05 106.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 70.01 110.287 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -103.8 95.46 6.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 70.51 109.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 120' ' ' GLU . 3.9 mp -107.77 142.31 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 74.44 109.265 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.453 HG23 ' OE1' ' A' ' 120' ' ' GLU . 13.7 p -74.15 152.34 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 74.31 110.39 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.442 ' HA ' HG12 ' A' ' 121' ' ' VAL . 1.1 m-20 -51.92 -21.81 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 70.22 109.295 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.38 -34.62 23.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 72.42 109.299 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.666 ' HB3' HD23 ' A' ' 116' ' ' LEU . 47.3 mt-10 -73.33 -29.68 62.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 75.11 110.321 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.844 HG21 ' HG2' ' A' ' 106' ' ' LYS . 9.9 p -81.88 -52.93 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 45.11 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.529 ' N ' HG13 ' A' ' 121' ' ' VAL . 10.2 t70 -49.79 -23.04 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 72.42 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.02 -31.89 16.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 71.31 109.328 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.517 ' HE3' HD22 ' A' ' 116' ' ' LEU . 34.1 ttm -64.65 -37.75 88.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 73.53 111.016 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 129' ' ' SER . 12.7 mt -64.56 -56.92 10.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 64.53 109.317 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -38.26 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 54.04 110.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 125' ' ' LEU . 15.0 mm-40 -49.15 -50.58 36.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 71.32 110.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.432 HG21 ' HB3' ' A' ' 142' ' ' ALA . 16.7 m -132.75 17.55 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 74.53 109.255 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.5 p -102.67 2.32 35.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 72.12 109.99 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.2 t0 45.15 48.36 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 74.34 109.277 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 49.28 36.23 22.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 55.34 110.975 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 129' ' ' SER . 94.4 p -88.05 -72.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 73.21 110.032 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.64 -16.58 1.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 70.23 111.012 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.7 mt-10 -141.57 170.11 16.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 71.23 110.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.763 HD11 HD13 ' A' ' 105' ' ' LEU . 3.8 pt -135.88 122.44 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.04 109.291 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.758 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -93.06 175.84 6.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 72.53 109.318 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 137' ' ' ILE . 7.3 tp -46.97 -24.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 73.33 109.308 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -81.55 -58.07 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 54.55 110.306 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.618 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 58.3 mt-30 -66.06 -58.29 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 54.31 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' ASN . 9.4 t80 -43.21 -48.76 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 73.04 111.051 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.644 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -53.24 -36.55 61.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 72.11 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -45.35 -49.18 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 33.1 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -42.95 91.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 71.24 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.927 HD12 ' HG ' ' A' ' 85' ' ' LEU . 1.4 mt -74.18 -3.41 29.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.21 109.266 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -144.07 41.82 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 70.41 110.017 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 142' ' ' ALA . 10.4 tptp -91.19 -62.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 72.32 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 41.95 49.08 5.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 65.32 111.053 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.0 t -126.98 128.78 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.746 . . . . 64.22 109.993 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.4 m 40.38 69.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 62.13 110.042 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.669 HG22 ' HB2' ' A' ' 455' ' ' ARG . 45.1 p -109.3 -72.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 54.2 110.427 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 453' ' ' THR . . . 80.23 27.01 53.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 70.42 110.974 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 151' ' ' GLY . 1.5 m 83.06 27.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 75.32 110.397 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 61.3 mmt-85 -128.56 -46.94 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 73.11 110.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.669 ' HB2' HG22 ' A' ' 150' ' ' THR . 35.2 mmt-85 -87.55 -19.91 27.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 73.01 110.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.452 ' HA ' ' NH2' ' A' ' 459' ' ' ARG . 0.1 OUTLIER -77.79 -21.78 51.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 70.45 109.306 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.15 -16.12 28.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 61.41 109.264 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.5 OUTLIER -69.02 -42.33 76.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 75.03 109.27 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.487 ' O ' HD13 ' A' ' 463' ' ' LEU . 1.9 ptp85 -76.25 -26.91 56.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 75.44 110.321 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.495 ' HA ' HD22 ' A' ' 463' ' ' LEU . 14.4 t30 -66.19 -31.2 71.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 74.21 109.339 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.66 ' HG2' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -54.91 -26.87 38.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 60.25 109.28 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.751 HG23 ' HE1' ' A' ' 92' ' ' PHE . 8.5 mt -89.61 -37.65 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 71.15 109.332 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 460' ' ' ASN . 5.0 mp -40.88 -48.82 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 72.43 109.308 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.842 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -69.73 -59.58 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 75.24 109.343 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.927 HG23 HD13 ' A' ' 39' ' ' LEU . 76.3 mt -39.91 -30.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 75.23 109.281 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.674 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.49 -72.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 70.33 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 470' ' ' ARG . 22.4 mttm -39.8 -67.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 73.03 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.564 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 35.3 t -45.09 -51.21 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 71.43 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 10.9 t -55.88 -31.7 63.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 72.2 109.998 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.507 ' CZ ' ' OE1' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -76.72 -40.14 49.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 62.52 110.305 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.609 ' HB3' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -47.81 -22.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 72.44 110.974 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.526 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 18.0 t80 -92.22 -28.21 17.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 73.04 111.038 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 470' ' ' ARG . 9.9 t -87.1 -1.86 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 52.34 110.01 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.421 ' HB ' ' CD ' ' A' ' 470' ' ' ARG . 12.2 p -109.08 -46.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 62.12 109.283 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.886 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -42.23 -33.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 72.35 109.281 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 71.35 110.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 62.31 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 t -101.57 -9.29 21.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 52.22 109.982 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p 39.67 42.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.3 109.955 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -90.26 53.13 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 63.32 109.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.735 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.1 mt -75.18 150.17 38.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.24 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 p -100.55 162.75 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 62.24 110.434 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 7' ' ' GLU . 11.9 pt-20 -40.97 -40.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.03 110.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 1.9 tp10 -62.86 -52.55 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 73.33 110.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.502 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 8.6 mm100 -49.91 -30.36 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 61.24 110.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.917 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.2 mm -71.79 -35.3 54.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 70.21 109.272 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.33 -12.62 60.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 71.25 109.309 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.795 ' HB3' ' HZ3' ' A' ' 456' ' ' LYS . 89.0 mt-10 -74.3 -61.04 2.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 62.11 110.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 24.5 m-85 -59.9 -14.05 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 75.34 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 1.1 mttt -64.93 -22.27 66.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 72.23 109.284 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.58 -57.79 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 44.04 110.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.038 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -52.96 -20.96 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 60.43 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.481 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.9 t80 -75.66 -39.03 58.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 70.41 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -28.01 66.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 71.42 109.307 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.975 HD21 ' HG3' ' A' ' 461' ' ' LYS . 65.5 mt -43.17 -39.75 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 71.35 109.316 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HZ ' HG11 ' A' ' 468' ' ' VAL . 5.2 m-85 -110.44 -45.85 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 75.11 111.024 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.481 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -58.8 86.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 74.41 109.272 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HE3' HG21 ' A' ' 34' ' ' THR . 63.7 mmtt -65.79 -67.28 0.46 Allowed 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.62 1.676 . . . . 73.23 109.352 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -73.92 -12.95 60.81 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.875 -1.059 . . . . 70.43 109.965 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 57.73 62.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 61.33 109.316 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.3 p30 -97.03 -22.01 17.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 73.12 109.345 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.83 33.79 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 72.32 111.028 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.98 111.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 75.54 109.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 19' ' ' PHE . 75.4 mt -91.83 101.19 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 62.4 109.328 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -68.07 165.76 17.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 72.52 110.005 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' HG11 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -61.22 -15.46 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 52.42 110.033 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.7 -24.93 22.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 65.02 110.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -90.73 -29.9 17.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 53.53 110.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.04 HD22 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -74.82 -48.78 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 72.12 109.345 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.656 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -69.88 -12.37 61.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 74.44 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.512 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -69.95 -25.53 63.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 63.3 110.379 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.524 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.0 t -91.49 -62.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 63.11 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.471 ' HE1' ' HB2' ' A' ' 472' ' ' PHE . 90.3 mtp -41.64 -46.34 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.31 111.001 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.4 ptm180 -62.36 -43.54 98.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 73.54 110.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 25.6 m -56.13 -35.66 67.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 64.11 109.98 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.04 HD13 HG23 ' A' ' 465' ' ' ILE . 4.0 mt -69.96 -22.34 63.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 70.32 109.331 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.32 -4.9 8.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 50.43 111.004 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 36' ' ' MET . 15.2 mt -70.06 177.33 3.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 64.41 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.527 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 16.0 p -157.56 58.17 1.42 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 62.41 109.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.572 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.5 Cg_endo -74.92 114.01 3.93 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.538 1.809 . . . . 71.5 111.043 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.67 140.58 54.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 73.02 109.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -46.3 -28.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 73.44 110.26 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.34 77.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 54.33 109.288 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.5 mm-40 -74.77 -49.92 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.03 110.256 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.04 HG13 HD22 ' A' ' 32' ' ' LEU . 53.4 t -41.11 -39.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 63.51 109.313 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' ASN . 93.0 m-20 -65.41 -61.23 2.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 74.35 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.0 -16.1 11.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 71.44 109.273 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.5 tm? -82.18 -51.26 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 64.12 109.271 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.403 ' HB3' HD13 ' A' ' 32' ' ' LEU . 6.3 ptm -79.06 -13.33 59.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 70.41 110.98 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 m120 -85.27 -8.77 58.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 74.41 109.324 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.59 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.3 mm-40 -85.94 -12.24 51.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 63.21 110.295 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.634 HD12 ' CD1' ' A' ' 71' ' ' LEU . 2.0 mm -117.83 -39.78 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 71.43 109.339 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 2.6 t0 -38.92 119.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 73.51 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 67' ' ' GLU . 2.6 p -93.04 -31.55 4.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 CA-C-O 123.615 1.674 . . . . 74.14 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 49.7 p30 -92.51 -7.32 47.67 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.946 -1.026 . . . . 70.31 110.022 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.34 42.08 88.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 63.43 111.028 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 39.4 p-10 -96.97 10.22 39.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 74.43 109.268 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.72 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 3.4 t-80 66.83 32.26 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 70.02 109.639 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 42.7 mt-30 -152.96 -175.86 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 65.13 110.32 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.18 126.19 58.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 60.22 109.286 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -93.52 177.92 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 52.44 110.295 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.917 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 4.2 t80 -76.01 -13.3 60.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 50.11 110.987 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 p -90.43 -44.26 9.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 53.31 109.998 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG2' ' CG1' ' A' ' 57' ' ' VAL . 10.3 mt-10 -70.29 -53.17 17.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 71.04 110.295 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -51.81 -45.38 63.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.35 111.016 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.726 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.22 -31.8 69.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 72.13 109.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.68 -16.43 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 31.04 109.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.634 ' CD1' HD12 ' A' ' 55' ' ' ILE . 5.0 tp -73.74 -50.91 18.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 74.34 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.463 ' SD ' ' CD ' ' A' ' 467' ' ' LYS . 6.2 mmt -56.05 -42.61 76.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 75.01 111.011 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.1 p -82.18 6.06 17.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 73.41 110.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -127.33 10.66 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.41 110.282 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' C ' ' CG ' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -108.65 54.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 65.15 110.293 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.429 ' HA ' ' CB ' ' A' ' 80' ' ' ASP . 6.9 mt -155.11 112.15 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 73.23 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -136.62 -61.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 51.45 109.307 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.7 t -132.85 -74.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 51.14 109.988 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.86 43.56 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 35.11 109.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.429 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -73.51 -67.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.34 109.333 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.76 -35.65 14.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 72.52 109.985 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.05 -33.53 76.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 72.43 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.454 ' OE1' ' NH1' ' A' ' 470' ' ' ARG . 22.0 mm-40 -68.72 -64.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 73.11 110.312 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' HB2' ' HB1' ' A' ' 466' ' ' ALA . 8.9 pt-20 -38.55 -29.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 64.32 110.298 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.881 ' HB3' HD11 ' A' ' 137' ' ' ILE . 7.8 mt -66.52 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 55.13 109.28 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 87' ' ' GLU . 2.8 pp -57.76 -46.91 83.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 72.41 109.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.551 ' N ' HD12 ' A' ' 86' ' ' LEU . 36.2 mm-40 -51.58 -44.89 62.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 71.32 110.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -80.5 -24.63 39.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 72.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.9 t80 -66.04 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 71.1 110.99 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -60.95 -31.34 70.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 75.53 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.3 t -62.7 -54.72 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 75.43 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.949 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.2 m-85 -64.39 -41.7 96.52 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.659 1.695 . . . . 70.21 111.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.3 OUTLIER -71.9 101.93 2.78 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.927 -1.035 . . . . 74.34 109.995 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 -33.27 19.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 61.34 109.297 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.61 -44.97 32.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 74.41 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.04 78.58 1.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 75.2 111.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.606 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.44 11.34 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 72.44 109.306 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.869 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.97 18.45 74.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 75.42 111.001 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -150.03 110.92 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 70.25 109.268 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.59 HD13 ' CB ' ' A' ' 92' ' ' PHE . 57.4 mt -75.58 104.12 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 73.02 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.1 p -69.66 173.27 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 74.12 110.015 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.594 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -44.67 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 60.44 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.75 -66.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 64.13 109.282 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 33.5 mt-10 -37.94 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 60.15 110.281 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.834 HD23 HG23 ' A' ' 121' ' ' VAL . 3.0 tp -89.99 -72.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 70.31 109.304 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.595 ' CB ' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -46.57 -60.02 2.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 73.14 109.269 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.668 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.22 -41.5 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 72.32 109.564 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.949 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -68.6 -41.81 83.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 73.34 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' LYS . 0.7 OUTLIER -61.44 -38.15 86.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 50.2 109.283 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.0 m -81.28 -10.17 59.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 72.12 110.38 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.89 0.07 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 70.22 109.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.973 HG21 HD11 ' A' ' 465' ' ' ILE . 2.6 pt -112.72 -33.05 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 72.11 109.298 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.422 ' N ' HG13 ' A' ' 112' ' ' ILE . . . 150.25 -42.51 0.77 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 73.11 111.025 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.979 ' OE1' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -52.04 173.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 73.43 110.267 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 114' ' ' GLU . 14.4 mtmm -154.72 116.96 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 64.23 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.979 HD13 ' OE1' ' A' ' 114' ' ' GLU . 1.5 mp -125.85 138.34 53.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 75.01 109.329 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' GLU . 21.5 p -66.64 147.73 52.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 62.4 110.388 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.37 -21.79 3.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 73.11 109.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.72 -27.98 20.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 74.41 109.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' THR . 20.0 mm-40 -73.68 -47.92 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 72.42 110.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.834 HG23 HD23 ' A' ' 105' ' ' LEU . 11.6 p -67.07 -53.91 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 71.52 109.291 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.549 ' N ' HG13 ' A' ' 121' ' ' VAL . 8.8 t70 -50.74 -21.96 1.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 61.15 109.281 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -90.71 -31.93 16.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 53.21 109.302 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.515 ' SD ' HD21 ' A' ' 105' ' ' LEU . 14.3 ttm -63.21 -30.88 71.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 73.32 111.017 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' A' ' 102' ' ' ALA . 13.1 mt -65.95 -52.5 49.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 73.44 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' LEU . 37.9 mtt180 -37.87 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 64.25 110.288 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 89.6 mt-10 -48.86 -50.3 35.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.33 110.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.437 HG11 ' CB ' ' A' ' 142' ' ' ALA . 34.4 m -132.13 16.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 72.21 109.324 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 125' ' ' LEU . 38.5 p -106.17 3.58 28.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 73.45 109.991 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 129' ' ' SER . 20.0 t70 38.36 50.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 55.43 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 48.31 45.68 28.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 63.34 111.003 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 129' ' ' SER . 37.5 t -95.8 -69.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 71.31 110.001 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.17 -11.43 2.3 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 51.34 110.993 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.4 mt-10 -148.37 166.79 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 0.798 . . . . 75.24 110.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.564 HD11 HD13 ' A' ' 105' ' ' LEU . 7.3 pt -136.67 130.33 46.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 55.54 109.301 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.434 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -94.13 -176.28 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 54.03 109.267 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.909 HG23 ' OE1' ' A' ' 138' ' ' GLN . 6.5 tp -56.59 -17.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 74.33 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.909 ' OE1' HG23 ' A' ' 137' ' ' ILE . 14.4 mm100 -88.23 -50.86 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 61.52 110.283 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.707 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 62.2 mt-30 -70.3 -57.25 5.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 74.52 110.314 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' A' ' 143' ' ' LEU . 43.4 t80 -42.36 -51.48 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 74.21 110.966 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.24 -35.12 71.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 74.23 109.259 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.54 -38.74 9.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 64.05 109.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 140' ' ' PHE . 1.7 mt -57.69 -45.06 86.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 63.14 109.286 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.759 ' N ' HD23 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -75.93 -13.18 60.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 72.43 109.279 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.16 44.56 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 53.4 109.961 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 142' ' ' ALA . 21.1 tptt -179.1 113.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 74.24 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -135.56 79.98 0.31 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 72.34 110.987 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 149' ' ' SER . 1.4 t -87.61 116.22 25.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 55.31 110.04 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 148' ' ' SER . 1.2 m 85.58 31.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 75.33 110.037 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.849 HG22 ' CB ' ' A' ' 455' ' ' ARG . 64.1 p -114.73 -179.6 3.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 72.33 110.451 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 178.73 -68.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.096 . . . . 72.44 110.963 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 3.7 m -144.77 16.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 73.51 110.414 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -129.19 -47.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 62.03 110.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.849 ' CB ' HG22 ' A' ' 150' ' ' THR . 37.2 mmt-85 -85.63 -32.78 21.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 64.12 110.28 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.795 ' HZ3' ' HB3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -57.19 -22.87 43.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 75.12 109.286 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 457' ' ' ALA . . . . . 0.715 ' HB2' ' HE3' ' A' ' 456' ' ' LYS . . . -86.98 -21.6 26.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 74.32 109.307 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 458' ' ' LEU . 0.3 OUTLIER -61.08 -44.53 97.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 64.43 109.333 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.665 ' O ' HD13 ' A' ' 463' ' ' LEU . 2.1 ptp85 -77.09 -26.04 52.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.33 110.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.455 ' HA ' HD22 ' A' ' 463' ' ' LEU . 20.7 t30 -70.04 -29.43 66.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 62.14 109.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.975 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -57.72 -26.43 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 65.54 109.303 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.689 HG23 ' CE1' ' A' ' 92' ' ' PHE . 7.6 mt -89.16 -32.52 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 72.1 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 459' ' ' ARG . 6.1 mp -48.23 -46.17 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 74.23 109.307 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 1.038 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -68.28 -61.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 52.24 109.307 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.04 HG23 HD13 ' A' ' 39' ' ' LEU . 17.8 mt -47.05 -24.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 71.1 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -80.79 -63.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 74.22 109.341 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.463 ' CD ' ' SD ' ' A' ' 72' ' ' MET . 22.2 mttt -61.26 -63.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 75.52 109.346 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.912 HG22 ' O ' ' A' ' 464' ' ' ALA . 5.0 m -38.85 -31.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 65.42 109.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 467' ' ' LYS . 1.3 t -77.71 -56.97 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 73.45 110.029 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.0 OUTLIER -50.1 -44.83 52.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.34 110.329 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.654 ' HB3' HD21 ' A' ' 51' ' ' LEU . 14.1 mtm -45.81 -29.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 61.04 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 12.6 t80 -87.27 -27.46 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 60.41 110.997 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 470' ' ' ARG . 13.9 t -86.22 -2.06 58.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 73.42 110.018 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 470' ' ' ARG . 12.2 p -112.6 -44.85 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 71.33 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.1 OUTLIER -40.22 -33.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 63.42 109.333 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 476' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 73.13 110.345 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.968 -0.853 . . . . 74.54 110.968 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p -88.35 146.6 25.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 62.31 110.017 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -67.81 79.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 75.45 109.995 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -84.72 56.13 3.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 52.23 109.238 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.726 HD13 ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -116.65 149.4 39.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 72.32 109.307 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 5' ' ' THR . 6.3 p -77.38 162.42 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 64.11 110.387 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -53.93 -23.6 13.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.41 110.293 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -73.68 -30.36 62.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 71.13 110.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 3.3 mt-30 -78.87 -39.0 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 72.15 110.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.831 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 1.6 mm -60.71 -21.44 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 63.12 109.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.79 -18.24 35.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 75.22 109.332 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 52.2 mt-10 -73.74 -61.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 73.34 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.726 ' CE2' HD13 ' A' ' 4' ' ' LEU . 33.4 m-85 -53.8 -22.12 8.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 65.34 110.964 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -54.72 -31.65 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.23 109.307 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.08 -35.35 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.54 110.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -71.05 -15.3 62.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 65.13 109.263 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 8.0 t80 -86.73 -35.1 19.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 73.13 110.965 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.25 -18.2 65.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 72.34 109.298 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.844 HD21 ' HG2' ' A' ' 461' ' ' LYS . 59.2 mt -51.16 -34.71 32.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 73.43 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.882 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 5.8 m-85 -115.69 -49.82 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 71.24 111.043 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.65 92.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 61.54 109.296 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.751 ' HE3' HG21 ' A' ' 34' ' ' THR . 20.1 mmtt -70.48 -67.3 0.51 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 123.64 1.686 . . . . 65.13 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.6 p30 -74.45 -7.88 54.44 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.898 -1.049 . . . . 74.13 109.962 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.74 61.18 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 71.21 109.283 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 13.1 p30 -94.09 -26.83 16.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 70.5 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 111.58 33.61 2.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 42.03 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.401 ' CB ' ' OE1' ' A' ' 62' ' ' GLN . 0.6 OUTLIER -168.91 111.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 63.22 110.012 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.593 HD13 ' HB2' ' A' ' 19' ' ' PHE . 90.4 mt -92.41 99.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 63.24 109.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 p -64.97 179.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.32 110.004 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -68.61 -34.16 75.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 74.22 110.024 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -30.15 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 75.44 110.025 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 34' ' ' THR . 51.8 mt-10 -82.55 -35.2 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 74.12 110.347 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.037 HD22 HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -73.31 -49.61 26.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 63.01 109.323 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.703 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -70.09 -12.84 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 71.24 109.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.751 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -68.73 -23.96 64.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 74.31 110.407 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 1.7 t -88.72 -56.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 63.05 109.32 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.624 ' CE ' HD13 ' A' ' 41' ' ' LEU . 70.7 mmm -37.26 -55.37 1.01 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 71.41 110.987 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' SER . 18.2 ptp180 -61.34 -42.46 98.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 75.2 110.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.3 m -54.77 -22.14 13.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 61.32 110.012 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.976 HD13 HG23 ' A' ' 465' ' ' ILE . 18.4 mt -90.81 -22.41 21.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 72.03 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.69 4.87 8.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 73.02 111.05 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.637 HD11 ' OG ' ' A' ' 469' ' ' SER . 29.0 mt -81.76 -176.35 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 75.31 109.334 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.457 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 34.3 p -162.61 61.17 1.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 63.13 110.029 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HA ' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.99 139.28 24.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 63.03 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.43 140.34 38.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 61.51 110.005 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 16.6 tt0 -53.73 -27.33 27.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 75.04 110.328 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.0 -49.2 75.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 73.04 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.79 ' CB ' HD21 ' A' ' 475' ' ' LEU . 2.7 mt-10 -74.07 -51.91 14.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 65.42 110.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.037 HG13 HD22 ' A' ' 32' ' ' LEU . 55.1 t -40.41 -29.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 51.25 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 47' ' ' GLU . 86.8 m-20 -73.33 -65.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 73.53 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -22.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 71.52 109.298 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.897 ' HB2' HD22 ' A' ' 475' ' ' LEU . 4.6 tt -80.52 -62.42 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 72.03 109.303 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.406 ' HB3' HD13 ' A' ' 32' ' ' LEU . 10.2 ptm -62.97 -13.75 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 61.11 110.958 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -90.74 -12.39 36.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 73.23 109.317 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.746 ' C ' HD13 ' A' ' 55' ' ' ILE . 5.4 mm-40 -82.47 -10.32 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.41 110.261 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.746 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.2 mm -117.74 -41.57 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 61.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 7.1 t0 -37.93 123.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.23 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.455 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 3.3 t -82.19 -36.13 13.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 CA-C-O 123.596 1.665 . . . . 61.52 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.505 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 54.3 p30 -97.08 -6.15 35.82 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.86 -1.067 . . . . 65.23 109.967 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.84 43.18 81.14 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.523 1.139 . . . . 73.41 110.997 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 29.1 p-10 -97.49 13.75 28.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.771 . . . . 72.4 109.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.635 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 12.5 t-80 67.63 38.21 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.04 109.609 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.422 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 34.2 mt-30 -154.3 158.45 40.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 74.53 110.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -116.24 123.73 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 72.25 109.318 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 5.7 mt-10 -91.75 166.49 12.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 54.21 110.34 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.831 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 1.8 t80 -64.66 -12.99 52.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 72.33 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.3 p -94.27 -43.13 8.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 71.45 110.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 20.3 mt-10 -67.75 -47.99 67.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 71.34 110.315 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.421 ' HE1' ' HB3' ' A' ' 15' ' ' ALA . 58.6 t80 -58.7 -42.11 87.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 72.04 111.035 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.662 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.68 -31.04 67.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 75.35 109.288 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -70.83 -19.97 62.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 63.41 109.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.853 HD21 ' SD ' ' A' ' 471' ' ' MET . 3.3 tp -69.57 -53.29 19.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 65.14 109.332 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.5 ' SD ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -60.29 -16.92 38.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.43 110.99 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -118.15 27.28 9.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 74.04 109.967 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -135.33 -75.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 73.01 110.313 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.621 ' O ' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -68.29 109.29 3.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 63.43 110.26 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 75' ' ' GLN . 14.6 mt -148.3 -76.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 73.14 109.266 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 78' ' ' SER . 2.1 mtmt 78.44 2.01 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 64.31 109.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 2.1 m 79.54 7.68 1.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 62.31 109.999 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.413 ' O ' ' CG ' ' A' ' 83' ' ' GLN . 0.4 OUTLIER -116.5 -7.3 11.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 44.54 109.33 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.47 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 1.0 OUTLIER -73.32 -62.79 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 72.1 109.291 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.501 ' O ' HD12 ' A' ' 85' ' ' LEU . 43.7 t -38.67 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 53.3 109.956 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -90.69 -44.29 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 71.52 110.294 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.557 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -65.17 -60.14 3.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 63.31 110.31 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 6.2 pt-20 -38.62 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 72.45 110.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -72.25 -68.75 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.148 . . . . 74.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 83' ' ' GLN . 1.8 pp -46.47 -30.68 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 70.25 109.309 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 11.4 mm-40 -73.77 -57.32 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 60.53 110.291 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.035 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -64.9 -13.02 55.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 55.24 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 16.3 t80 -83.95 -55.82 4.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 64.24 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 11.9 ptpt -67.34 -40.71 85.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 72.5 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.483 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 1.7 p -55.06 -47.78 76.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 71.2 109.29 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.836 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.4 m-85 -68.0 -37.83 81.92 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.639 1.685 . . . . 73.51 111.012 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' OD2' ' HA2' ' A' ' 96' ' ' GLY . 0.3 OUTLIER -76.15 102.61 5.82 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 117.953 -1.023 . . . . 75.34 109.969 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -32.37 19.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.22 109.322 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.45 -50.94 12.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 62.45 109.289 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.47 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 93.11 63.59 1.09 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 73.53 110.97 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.728 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -119.19 -6.13 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 74.01 109.273 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.14 7.81 67.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 60.2 111.028 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.814 HD23 ' HB3' ' A' ' 136' ' ' ASN . 1.1 mt -142.27 116.56 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 65.11 109.311 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.626 HD13 ' CB ' ' A' ' 92' ' ' PHE . 58.0 mt -78.75 105.82 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 73.41 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 p -70.03 -178.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 65.51 110.027 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.78 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -51.8 -71.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 63.11 109.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -41.1 -65.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 75.31 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' ALA . 75.2 mt-10 -38.34 -29.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 60.45 110.353 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.836 HD23 ' CG2' ' A' ' 121' ' ' VAL . 3.3 tp -93.46 -72.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 64.12 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.537 ' HB3' HG21 ' A' ' 121' ' ' VAL . 5.6 ptmt -48.51 -56.98 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 70.44 109.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.801 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.3 -37.6 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.24 109.581 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.836 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -71.92 -40.26 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 75.51 109.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 114' ' ' GLU . 1.9 mm? -67.12 -26.18 66.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 74.45 109.354 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.6 m -82.8 -17.16 45.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 65.02 110.357 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.754 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -76.72 -10.69 59.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 70.23 109.974 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.05 HG21 HD11 ' A' ' 465' ' ' ILE . 6.1 pt -112.44 -32.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 65.25 109.271 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.36 -33.73 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 61.35 110.958 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.517 ' CB ' HD12 ' A' ' 109' ' ' LEU . 10.4 mm-40 -62.63 106.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 71.14 110.269 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -106.73 93.21 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 75.53 109.357 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 120' ' ' GLU . 1.4 mp -102.39 142.52 33.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 72.41 109.32 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.2 p -75.15 155.68 36.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 73.53 110.374 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 33.3 t0 -53.65 -34.3 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 71.21 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.19 -24.13 51.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 62.02 109.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.686 ' HB3' HD23 ' A' ' 116' ' ' LEU . 51.5 mt-10 -76.73 -56.69 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 52.51 110.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.836 ' CG2' HD23 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -63.07 -50.4 79.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 24.12 109.289 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.51 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 12.8 t0 -47.07 -25.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 65.32 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 121' ' ' VAL . 3.4 t0 -90.65 -35.99 14.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 72.35 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 121' ' ' VAL . 36.7 ttm -62.73 -36.11 81.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 74.23 110.991 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.658 HD13 ' O ' ' A' ' 133' ' ' GLY . 10.1 mt -62.12 -52.66 62.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 71.54 109.261 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 125' ' ' LEU . 37.5 mtt180 -37.11 -30.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.45 110.329 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 27.0 mm-40 -46.42 -50.39 16.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 73.33 110.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.539 HG11 ' CB ' ' A' ' 142' ' ' ALA . 19.9 m -132.32 14.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.24 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.0 p -100.48 11.29 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 75.33 109.992 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 129' ' ' SER . 25.9 t0 39.2 45.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 73.33 109.257 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.91 46.75 75.66 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.492 1.12 . . . . 45.45 110.984 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' SER . 41.5 t -106.83 -77.39 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 0.795 . . . . 65.51 110.002 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.658 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 149.9 -17.58 1.08 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.518 1.136 . . . . 52.33 111.041 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 19.6 mt-10 -129.84 156.22 44.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 72.22 110.334 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.784 HD11 HD13 ' A' ' 105' ' ' LEU . 3.0 pt -128.82 123.04 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 74.11 109.332 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.814 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -91.99 175.17 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 60.14 109.307 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.52 ' HB ' ' CE2' ' A' ' 89' ' ' PHE . 5.7 tp -46.48 -25.0 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 62.24 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 7.5 mm100 -81.92 -58.47 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 73.02 110.284 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.577 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 50.3 mt-30 -64.6 -57.42 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 74.32 110.276 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' A' ' 144' ' ' LEU . 20.8 t80 -44.52 -44.48 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 74.23 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.551 ' CB ' HD21 ' A' ' 85' ' ' LEU . . . -56.98 -35.71 69.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 41.42 109.262 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -49.29 -48.0 46.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.02 109.26 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.2 mt -59.71 -45.3 92.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 74.1 109.333 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 85' ' ' LEU . 4.7 mt -72.05 -6.15 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 43.04 109.29 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 t -134.02 41.55 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 74.13 110.004 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.39 81.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 73.22 109.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -120.18 54.01 0.67 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 72.44 111.032 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.2 m -117.3 -36.73 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 62.44 109.961 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 18.1 m -136.84 77.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 72.44 109.976 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.564 HG22 ' HB2' ' A' ' 455' ' ' ARG . 50.0 p -120.21 -72.05 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 61.51 110.363 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 150' ' ' THR . . . 82.17 42.7 8.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 54.12 110.978 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 453' ' ' THR . 2.0 m 63.77 45.55 4.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 71.01 110.422 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -145.04 -59.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 75.0 110.306 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.564 ' HB2' HG22 ' A' ' 150' ' ' THR . 42.6 mmt-85 -68.29 -35.98 78.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 71.12 110.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -60.61 -16.66 40.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 71.4 109.311 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.84 -18.25 24.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 72.11 109.319 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 458' ' ' LEU . 0.4 OUTLIER -73.16 -47.62 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 53.01 109.282 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -73.94 -34.68 64.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 75.53 110.291 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.597 ' HA ' HD12 ' A' ' 463' ' ' LEU . 9.1 t30 -58.42 -35.89 72.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 62.22 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.844 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -58.77 -27.13 64.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 71.14 109.33 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.657 HG23 ' HE1' ' A' ' 92' ' ' PHE . 27.1 mt -89.57 -35.45 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 74.23 109.302 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 460' ' ' ASN . 96.8 mt -47.35 -48.11 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 75.32 109.308 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.564 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -70.23 -56.3 7.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 61.51 109.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.05 HD11 HG21 ' A' ' 112' ' ' ILE . 10.3 mt -45.16 -26.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 75.32 109.341 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 1.035 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.02 -72.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 62.54 109.275 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.482 ' CE ' ' HA ' ' A' ' 72' ' ' MET . 4.2 mtpp -46.83 -59.96 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 65.4 109.303 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.882 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 98.4 t -42.47 -30.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 74.23 109.336 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.637 ' OG ' HD11 ' A' ' 41' ' ' LEU . 7.4 t -82.95 -67.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 53.41 110.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.455 ' HD3' HG23 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -40.64 -29.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.13 110.289 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.853 ' SD ' HD21 ' A' ' 71' ' ' LEU . 30.6 mtp -57.96 -47.06 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 63.41 111.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.609 ' CZ ' ' HA ' ' A' ' 43' ' ' PRO . 46.6 t80 -58.71 -25.37 62.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 74.33 110.985 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 52.7 m -80.33 -15.09 57.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 74.11 109.995 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.455 HG23 ' HD3' ' A' ' 470' ' ' ARG . 58.5 t -96.71 -52.38 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 72.13 109.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.897 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -38.49 -34.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 74.42 109.322 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 73.21 110.269 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.018 -0.833 . . . . 53.4 111.018 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 p -127.21 96.01 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 52.31 110.032 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.66 151.74 41.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 72.1 109.995 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -137.1 58.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 52.25 109.283 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.55 HD11 ' OG ' ' A' ' 73' ' ' SER . 1.3 mt -126.13 148.76 49.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 73.22 109.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.446 HG23 ' OE1' ' A' ' 8' ' ' GLN . 4.9 p -77.91 166.1 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 74.55 110.411 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -53.83 -31.86 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.35 110.294 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -66.51 -27.25 67.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 74.32 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' OE1' HG23 ' A' ' 5' ' ' THR . 2.7 mt-30 -83.41 -39.77 20.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 73.32 110.288 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.986 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -60.99 -30.19 47.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 74.41 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -16.66 63.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 65.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 67.8 mt-10 -74.4 -68.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 75.13 110.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 4' ' ' LEU . 43.5 m-85 -51.51 -20.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 74.12 110.967 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -50.81 -44.32 59.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 75.02 109.317 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -69.92 -53.54 17.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 60.04 110.318 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.969 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -50.91 -23.02 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 75.25 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CZ ' ' C ' ' A' ' 64' ' ' GLU . 9.2 t80 -78.58 -34.04 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 71.01 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.37 -16.54 64.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 73.44 109.271 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.767 HD21 ' HG3' ' A' ' 461' ' ' LYS . 36.7 mt -56.85 -37.51 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 60.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.657 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 38.4 m-85 -107.75 -45.9 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 73.22 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.501 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -58.12 86.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 73.41 109.296 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.569 ' HE3' HG21 ' A' ' 34' ' ' THR . 39.5 mmtt -58.55 -67.56 0.35 Allowed 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 123.627 1.68 . . . . 60.22 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -79.09 -21.28 46.93 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.903 -1.046 . . . . 75.0 109.991 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 22' ' ' ASP . 1.1 m-80 71.81 57.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 72.14 109.327 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 21.6 p30 -93.24 -13.24 28.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 72.12 109.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.439 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 96.59 35.84 5.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 71.12 110.98 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.404 ' CB ' ' HB3' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -169.08 113.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 73.55 110.054 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 26.5 mt -95.97 98.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 62.23 109.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.23 162.86 24.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 63.15 109.978 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.43 ' CB ' HG12 ' A' ' 48' ' ' VAL . 2.7 t -57.66 -16.96 12.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 75.45 110.033 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -25.24 29.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 71.42 110.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.724 ' O ' HG22 ' A' ' 34' ' ' THR . 38.1 mt-10 -90.53 -40.19 12.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 74.11 110.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.989 HD22 HG13 ' A' ' 48' ' ' VAL . 1.1 tt -62.97 -49.82 73.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 70.2 109.314 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.583 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -67.83 -12.63 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 65.34 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -71.82 -29.26 64.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 54.12 110.394 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.559 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.2 t -89.23 -61.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 72.42 109.298 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.721 ' HE2' HD13 ' A' ' 41' ' ' LEU . 69.8 mtp -37.85 -52.74 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 74.11 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' SER . 5.2 ptm180 -62.38 -40.61 97.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 73.32 110.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' VAL . 15.5 m -60.83 -29.07 69.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 62.42 109.992 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.021 HD13 HG23 ' A' ' 465' ' ' ILE . 14.5 mt -76.32 -21.47 56.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 72.33 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.24 1.54 8.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 61.34 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.721 HD13 ' HE2' ' A' ' 36' ' ' MET . 16.1 mt -81.25 -174.0 4.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 71.32 109.29 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 3.6 t -164.2 61.3 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 63.32 109.982 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.97 142.4 27.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 72.1 111.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m -87.45 140.43 29.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 74.33 109.947 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 17.5 tt0 -48.13 -28.12 2.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 75.42 110.291 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.67 -49.48 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 64.14 109.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.15 -51.34 12.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 64.53 110.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.989 HG13 HD22 ' A' ' 32' ' ' LEU . 54.7 t -40.48 -34.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 72.52 109.26 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 89.1 m-20 -66.77 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 71.2 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -56.37 -17.82 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 64.55 109.301 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.847 HD11 ' HE2' ' A' ' 471' ' ' MET . 1.6 tm? -76.62 -56.41 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 74.45 109.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 ptp -75.9 -14.23 60.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 52.23 111.002 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -83.93 -8.06 59.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 72.02 109.282 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.985 ' C ' HD13 ' A' ' 55' ' ' ILE . 7.8 mt-10 -93.36 -6.75 46.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 65.04 110.288 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.985 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -117.1 -48.16 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 72.41 109.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 2.1 t0 -39.87 120.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 64.42 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 67' ' ' GLU . 49.8 t -88.58 -12.52 10.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 CA-C-O 123.616 1.674 . . . . 33.53 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 47.0 p-10 -117.71 -8.02 10.93 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.887 -1.054 . . . . 63.24 109.97 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.486 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 60.89 39.47 96.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 70.3 110.989 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.435 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 31.3 p-10 -91.64 24.55 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 72.12 109.291 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.546 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 28.2 t-80 48.07 37.16 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 71.43 109.572 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 40.4 mt-30 -159.51 149.94 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 71.21 110.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.85 127.03 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 61.44 109.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.524 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 9.6 mt-10 -92.75 178.86 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 74.43 110.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.986 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.6 t80 -77.38 -13.29 59.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 63.15 110.999 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.4 p -91.99 -44.22 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 62.33 109.979 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HG2' HG23 ' A' ' 57' ' ' VAL . 29.3 mt-10 -68.09 -55.75 11.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 61.31 110.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -49.42 -48.52 47.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 73.13 110.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -67.41 -32.95 74.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 72.23 109.297 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.45 -15.52 63.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 74.34 109.3 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.67 HD12 HD12 ' A' ' 55' ' ' ILE . 3.5 tt -79.65 -54.49 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 63.24 109.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 72' ' ' MET . 0.7 OUTLIER -52.96 -26.16 14.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 74.15 110.966 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.55 ' OG ' HD11 ' A' ' 4' ' ' LEU . 1.3 m -107.27 30.75 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 64.41 110.047 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.24 -50.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 75.23 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' LYS . 0.9 OUTLIER -50.11 -32.79 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 70.14 110.276 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.615 ' N ' HD23 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -60.72 84.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 44.21 109.306 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -87.65 -71.15 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 75.21 109.329 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.9 m -135.32 -67.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 75.14 109.968 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.4 47.58 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 73.32 109.3 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 83' ' ' GLN . 0.4 OUTLIER -84.25 -58.86 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 54.24 109.329 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 p -39.39 -35.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 73.42 110.029 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -47.41 20.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 71.44 110.323 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.551 HE22 HD21 ' A' ' 86' ' ' LEU . 11.1 tp-100 -56.86 -56.31 23.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 70.53 110.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 11.0 pt-20 -48.63 -41.13 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 74.34 110.296 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.786 HD21 ' HA ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -64.93 -66.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 71.5 109.329 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -46.78 -28.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 72.14 109.3 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 83' ' ' GLN . 6.7 mm-40 -73.66 -49.99 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 74.24 110.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.822 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -74.17 -12.79 60.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 34.53 109.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 85' ' ' LEU . 13.6 t80 -71.69 -49.64 37.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 65.42 110.975 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -77.43 -33.94 54.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 71.3 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -57.0 -49.19 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 61.33 109.337 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.898 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.6 m-85 -66.37 -38.24 87.12 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 123.625 1.678 . . . . 74.34 111.04 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.32 99.59 2.45 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 117.899 -1.048 . . . . 52.32 109.985 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -85.53 -32.95 21.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 75.45 109.287 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.23 -46.42 28.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 70.43 109.3 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.03 77.24 1.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.495 1.122 . . . . 65.01 111.012 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.729 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -140.17 10.87 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 74.33 109.271 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.863 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 68.95 20.57 74.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 64.44 110.989 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.0 mt -149.9 110.64 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 72.54 109.31 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.57 HD13 ' CB ' ' A' ' 92' ' ' PHE . 63.8 mt -76.21 103.82 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 73.21 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.2 p -72.29 176.96 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 51.42 109.979 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -46.32 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 51.13 109.261 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -40.76 -66.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 74.01 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 103' ' ' ALA . 41.3 mt-10 -38.26 -29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 53.42 110.286 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.754 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.4 OUTLIER -93.44 -72.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 74.31 109.249 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.643 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -47.62 -56.49 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 64.32 109.313 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.767 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -47.01 -40.32 14.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 64.12 109.634 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.898 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -68.48 -46.77 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 61.5 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 116' ' ' LEU . 1.2 mt -60.61 -28.71 68.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 52.31 109.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 10.6 m -81.99 -9.36 59.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 73.41 110.373 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.724 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -83.65 -12.47 55.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 72.35 109.952 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.02 HG21 HD11 ' A' ' 465' ' ' ILE . 5.4 pt -97.74 -32.11 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 75.11 109.278 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 143.42 -37.11 1.5 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 54.21 111.022 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.475 ' CG ' ' HB3' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -58.25 174.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 74.31 110.312 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 1.7 pttp -151.83 128.7 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 54.54 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 109' ' ' LEU . 8.2 mt -126.22 128.89 47.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 74.35 109.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.4 p -73.67 163.85 27.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 63.33 110.362 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 3.9 m-20 -54.07 -44.69 71.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 72.23 109.287 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.19 -21.29 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 70.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.606 ' HB3' HD22 ' A' ' 116' ' ' LEU . 8.4 mm-40 -81.29 -64.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 73.43 110.341 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.643 HG21 ' HB3' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -57.65 -50.62 76.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 74.02 109.307 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.518 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 14.7 t70 -54.8 -25.15 26.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 71.42 109.241 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.28 -25.45 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.34 109.305 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.576 ' HE1' HD11 ' A' ' 458' ' ' LEU . 38.0 ttm -72.23 -38.38 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 73.33 111.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 129' ' ' SER . 9.8 mt -65.14 -57.0 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 74.01 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 125' ' ' LEU . 34.5 mtt-85 -38.02 -29.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 75.21 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.7 mm-40 -48.26 -50.85 28.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.21 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.547 HG11 ' CB ' ' A' ' 142' ' ' ALA . 19.8 m -132.1 15.66 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 65.11 109.317 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 125' ' ' LEU . 38.3 p -105.45 4.88 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 75.22 109.982 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' SER . 26.4 t70 37.32 51.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 75.34 109.338 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 47.56 47.71 23.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 70.42 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' SER . 47.7 t -96.44 -69.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 50.51 109.982 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.43 -12.91 1.81 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 72.32 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -148.06 169.39 20.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 63.42 110.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.754 HD11 ' CD1' ' A' ' 105' ' ' LEU . 5.9 pt -137.6 130.52 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 73.31 109.353 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.461 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -99.32 -179.85 4.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 72.35 109.246 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.527 HG23 ' OE1' ' A' ' 138' ' ' GLN . 5.7 tp -49.69 -22.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 55.14 109.278 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.527 ' OE1' HG23 ' A' ' 137' ' ' ILE . 6.6 mm100 -82.88 -56.03 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 71.53 110.314 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.656 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 56.8 mt-30 -68.52 -58.69 3.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 63.42 110.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 136' ' ' ASN . 12.5 t80 -43.3 -49.68 6.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 70.25 110.97 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.786 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -55.24 -35.28 64.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 72.5 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -52.53 -38.53 59.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 41.34 109.315 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 135' ' ' ILE . 55.2 mt -57.6 -54.2 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 74.02 109.325 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.747 ' N ' HD23 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -62.57 -13.55 32.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 71.11 109.27 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.66 55.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 73.43 109.973 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.424 ' O ' HG21 ' A' ' 150' ' ' THR . 0.0 OUTLIER -131.74 89.17 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 74.23 109.266 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.47 52.78 0.76 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 52.02 110.969 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.6 m -107.7 -41.4 5.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 62.41 109.983 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.06 15.71 22.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 55.24 110.028 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.488 HG22 ' CB ' ' A' ' 455' ' ' ARG . 25.1 p -100.25 -167.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 73.14 110.402 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.4 ' C ' ' OG1' ' A' ' 453' ' ' THR . . . 174.61 -64.39 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.089 . . . . 61.41 110.994 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 151' ' ' GLY . 5.2 m -155.15 23.17 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 72.01 110.414 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -138.54 -48.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.41 110.295 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.488 ' CB ' HG22 ' A' ' 150' ' ' THR . 11.3 mmt85 -78.37 -20.68 50.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 73.32 110.329 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.43 ' NZ ' ' OE2' ' A' ' 11' ' ' GLU . 4.9 ptmm? -74.49 -21.57 59.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 73.11 109.255 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -87.56 -19.71 27.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 71.33 109.247 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.576 HD11 ' HE1' ' A' ' 124' ' ' MET . 0.2 OUTLIER -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 61.32 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -60.73 -30.22 69.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 72.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.608 ' HA ' HD12 ' A' ' 463' ' ' LEU . 11.1 t30 -61.82 -37.33 84.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 74.44 109.324 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.78 ' O ' HD12 ' A' ' 465' ' ' ILE . 0.0 OUTLIER -51.6 -28.99 15.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 55.04 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.764 HG23 ' CE1' ' A' ' 92' ' ' PHE . 13.5 mt -89.28 -39.66 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.14 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 460' ' ' ASN . 94.8 mt -44.95 -44.51 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 62.22 109.349 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.969 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -70.4 -55.76 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 72.31 109.33 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.021 HG23 HD13 ' A' ' 39' ' ' LEU . 15.2 mt -48.29 -24.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 54.15 109.316 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.822 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -86.02 -69.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 63.25 109.262 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 468' ' ' VAL . 17.9 mttt -43.95 -66.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.14 109.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 464' ' ' ALA . 6.3 m -39.28 -33.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 63.55 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 466' ' ' ALA . 1.1 t -69.61 -56.42 7.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 64.34 109.978 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.471 ' CD ' ' HB ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -54.08 -40.56 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 75.14 110.262 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.847 ' HE2' HD11 ' A' ' 51' ' ' LEU . 44.3 mtp -48.32 -29.12 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 65.51 110.958 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.58 ' HB2' ' HE3' ' A' ' 36' ' ' MET . 46.6 t80 -89.03 -23.16 22.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 72.43 110.999 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 470' ' ' ARG . 1.0 OUTLIER -92.01 -2.33 56.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 70.15 109.978 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.471 ' HB ' ' CD ' ' A' ' 470' ' ' ARG . 13.0 p -109.51 -47.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 63.3 109.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.49 -34.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 65.12 109.283 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 75.05 110.307 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.017 -0.833 . . . . 73.21 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 m -112.2 148.63 33.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 70.51 109.977 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -124.73 161.26 26.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 72.41 110.005 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.18 16.98 9.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 72.33 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.029 HD13 ' CE2' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -104.89 146.84 28.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.22 109.315 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.2 p -96.49 160.16 14.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 63.13 110.412 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -40.97 -39.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 75.34 110.264 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.495 ' CD ' ' CG2' ' A' ' 453' ' ' THR . 13.0 tp10 -68.11 -44.56 75.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 62.1 110.278 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' THR . 27.5 mm100 -56.88 -33.62 67.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 74.33 110.347 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 9' ' ' ILE . 1.9 mm -65.72 -22.09 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.21 109.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.18 -13.32 53.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 72.44 109.325 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 23.2 mt-10 -79.19 -62.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.22 110.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 1.029 ' CE2' HD13 ' A' ' 4' ' ' LEU . 34.8 m-85 -53.98 -23.66 14.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 65.25 110.99 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.9 mttt -54.44 -41.35 69.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 74.11 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 17' ' ' ALA . 18.8 mm-40 -71.44 -55.88 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 73.41 110.304 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.766 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -50.56 -23.02 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 64.15 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.603 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 12.2 t80 -79.7 -33.11 41.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 63.14 110.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -67.33 -20.7 65.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 72.13 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.743 HD21 ' HG3' ' A' ' 461' ' ' LYS . 43.2 mt -50.73 -37.77 43.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 75.35 109.281 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.648 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 14.1 m-85 -107.61 -52.25 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 74.31 111.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.603 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -47.04 94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 71.3 109.315 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.793 ' HE3' HG21 ' A' ' 34' ' ' THR . 9.2 mmtp -69.84 -66.84 0.54 Allowed 'General case' 0 C--O 1.215 -0.75 0 CA-C-O 123.643 1.687 . . . . 51.11 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.92 -10.13 59.72 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.908 -1.044 . . . . 73.12 109.984 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m120 59.66 59.84 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 60.02 109.292 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -99.58 -17.06 18.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 72.43 109.314 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 97.57 39.8 3.82 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 60.55 110.998 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.69 111.75 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.781 . . . . 71.31 109.999 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' ' 19' ' ' PHE . 63.0 mt -97.41 97.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 72.33 109.316 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -66.32 163.09 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 64.13 109.978 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.468 ' O ' HG11 ' A' ' 48' ' ' VAL . 1.4 t -56.15 -18.0 8.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 63.11 109.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -24.29 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 63.03 110.004 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' A' ' 34' ' ' THR . 58.7 mt-10 -90.54 -28.65 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.42 110.349 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.106 HD22 HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -77.23 -47.46 20.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 74.11 109.275 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.702 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -68.19 -12.47 61.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 40.25 109.347 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.793 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.32 -25.35 63.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 73.14 110.435 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.574 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.0 t -91.35 -62.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 65.1 109.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.553 ' HE1' ' HB2' ' A' ' 472' ' ' PHE . 90.1 mtp -38.38 -50.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 64.03 110.979 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' A' ' 38' ' ' SER . 7.9 ptm180 -66.65 -39.18 88.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 62.42 110.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' VAL . 15.4 m -58.89 -24.56 62.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 70.21 110.006 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.031 HD13 HG23 ' A' ' 465' ' ' ILE . 16.0 mt -82.42 -19.69 38.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 63.44 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.99 2.93 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.145 . . . . 62.24 110.987 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.435 HD12 ' CA ' ' A' ' 36' ' ' MET . 15.5 mt -80.93 -176.19 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 73.25 109.255 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.455 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 70.7 m -162.44 61.43 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 73.32 110.016 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.0 145.25 31.19 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 44.23 111.022 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -90.56 140.46 29.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 41.13 109.976 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.3 tt0 -45.08 -28.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 73.11 110.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.58 -49.03 76.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 45.12 109.296 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HB3' HD21 ' A' ' 475' ' ' LEU . 0.7 OUTLIER -76.76 -51.35 11.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 72.41 110.271 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.106 HG13 HD22 ' A' ' 32' ' ' LEU . 54.4 t -40.35 -38.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 64.33 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 91.1 m-20 -63.47 -63.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 71.22 109.288 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -57.4 -17.31 12.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 72.53 109.281 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.649 HD11 ' HE3' ' A' ' 471' ' ' MET . 0.2 OUTLIER -78.41 -51.59 9.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 72.14 109.312 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.556 ' HB3' HD13 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -80.99 -11.68 59.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 74.2 110.943 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.7 m120 -88.13 -7.62 56.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 60.15 109.28 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.562 ' O ' HD13 ' A' ' 55' ' ' ILE . 2.4 mm-40 -90.69 -7.43 52.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 72.43 110.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.86 HD12 HD13 ' A' ' 71' ' ' LEU . 5.0 mm -117.72 -48.01 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 74.25 109.272 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 1.2 t0 -39.08 114.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 72.35 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 67' ' ' GLU . 46.9 t -78.79 -7.05 10.09 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 CA-C-O 123.639 1.685 . . . . 63.34 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -123.64 -21.2 5.29 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 117.909 -1.043 . . . . 75.54 110.009 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.28 52.81 24.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 53.13 110.981 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 34.9 p-10 -100.97 13.03 36.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 53.24 109.274 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 35.5 t-80 66.07 28.4 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 73.05 109.576 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 44.1 mt-30 -156.69 147.96 22.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 75.44 110.291 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.8 129.1 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.01 109.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.426 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -95.3 173.06 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 62.25 110.318 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.556 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.9 t80 -71.0 -12.98 61.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 75.35 110.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 t -92.3 -41.41 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 72.41 110.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.504 ' HG2' HG23 ' A' ' 57' ' ' VAL . 29.7 mt-10 -70.85 -48.76 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 73.55 110.328 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -57.13 -41.44 79.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 73.14 110.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.765 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -72.59 -33.19 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 61.42 109.326 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.46 -15.94 60.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.44 109.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.86 HD13 HD12 ' A' ' 55' ' ' ILE . 18.5 tp -72.56 -51.17 20.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 73.24 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.429 ' CE ' ' CD ' ' A' ' 467' ' ' LYS . 3.3 mmt -55.38 -32.42 62.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 72.14 111.004 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.475 ' HB2' HD21 ' A' ' 4' ' ' LEU . 7.3 t -89.78 18.4 5.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 62.21 109.971 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.1 21.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.32 110.344 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.569 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -113.78 -28.61 7.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 70.44 110.274 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 76' ' ' LEU . 3.1 mt -45.74 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 62.24 109.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt 55.86 19.18 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 74.45 109.307 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.5 t 58.85 16.22 4.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 65.42 109.996 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -125.02 1.62 7.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 53.13 109.332 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.9 t70 -98.17 -64.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 73.02 109.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.3 t -39.58 -28.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 74.32 109.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.46 ' N ' ' C ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -90.3 -43.09 10.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 62.34 110.295 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.7 mm100 -78.44 -62.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 73.25 110.315 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -38.04 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 71.15 110.329 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.804 ' HB3' HD11 ' A' ' 137' ' ' ILE . 7.0 mt -66.99 -65.6 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 62.02 109.304 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 87' ' ' GLU . 2.5 pp -57.58 -46.99 83.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 73.54 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.558 ' N ' HD12 ' A' ' 86' ' ' LEU . 31.0 mm-40 -52.6 -44.05 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 74.4 110.279 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -80.7 -23.71 39.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 65.14 109.306 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.475 ' HA ' HD11 ' A' ' 100' ' ' ILE . 9.1 t80 -67.46 -64.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 72.14 111.012 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -60.54 -34.55 74.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 71.44 109.326 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.3 t -58.24 -56.44 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 74.44 109.297 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.847 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.5 m-85 -63.75 -43.01 97.71 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.638 1.685 . . . . 64.31 111.044 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.63 98.8 1.97 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.953 -1.022 . . . . 74.12 109.949 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -30.02 21.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 72.25 109.301 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -78.23 -43.51 28.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 72.24 109.292 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.44 78.88 1.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 73.31 110.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.636 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.41 11.11 2.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 61.44 109.313 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.845 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.15 17.74 72.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.445 1.091 . . . . 74.22 110.963 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.4 mt -149.57 112.68 4.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 0.78 . . . . 74.24 109.339 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.64 HD13 ' CB ' ' A' ' 92' ' ' PHE . 61.9 mt -79.24 105.33 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 74.14 109.277 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.6 t -70.06 -176.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 62.14 109.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.657 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -54.78 -67.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 63.14 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -42.08 -65.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 51.31 109.259 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' ALA . 36.7 mt-10 -38.78 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 70.24 110.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.735 HD21 ' SD ' ' A' ' 124' ' ' MET . 2.7 tp -90.46 -72.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 61.32 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.873 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -46.23 -59.31 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 70.53 109.298 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.81 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.26 -38.27 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 63.44 109.576 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.847 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -73.36 -38.85 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 54.25 109.248 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.586 HD23 HG12 ' A' ' 108' ' ' VAL . 1.9 mt -67.38 -25.26 65.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 63.42 109.341 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 m -86.6 -10.42 53.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 63.1 110.404 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.777 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -84.67 -1.67 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 71.33 109.992 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.075 HG21 HD11 ' A' ' 465' ' ' ILE . 8.3 pt -112.53 -32.91 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 71.53 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.36 -32.25 1.38 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 50.4 111.006 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.598 ' HG3' ' HZ3' ' A' ' 461' ' ' LYS . 11.2 mm-40 -56.62 173.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 64.23 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -159.36 116.13 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 72.11 109.313 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.696 HD13 ' HE3' ' A' ' 124' ' ' MET . 41.8 mt -127.68 137.51 52.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 63.12 109.3 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 120' ' ' GLU . 25.2 p -69.58 151.31 46.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 75.32 110.396 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -51.59 -23.67 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 72.51 109.319 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.32 -31.3 21.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 61.55 109.283 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.518 ' HB3' HD22 ' A' ' 116' ' ' LEU . 12.9 mm-40 -75.15 -28.5 60.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 75.54 110.258 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.953 ' O ' HD22 ' A' ' 125' ' ' LEU . 9.2 p -84.81 -53.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 64.24 109.291 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.541 ' N ' HG13 ' A' ' 121' ' ' VAL . 7.4 t0 -49.47 -22.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 71.22 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 121' ' ' VAL . 4.1 t70 -90.86 -32.51 16.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 64.32 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.735 ' SD ' HD21 ' A' ' 105' ' ' LEU . 27.9 ttm -60.64 -33.39 72.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 75.24 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.953 HD22 ' O ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -69.33 -53.8 17.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 73.14 109.323 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 125' ' ' LEU . 17.2 mtt180 -35.18 -33.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 71.42 110.274 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.9 mm-40 -41.99 -50.73 4.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 64.12 110.276 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.519 HG11 ' CB ' ' A' ' 142' ' ' ALA . 34.2 m -132.79 10.51 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 65.45 109.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.2 p -95.34 10.99 34.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 64.34 110.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.0 t70 45.74 39.14 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 71.51 109.264 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.2 35.05 91.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 74.55 110.975 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' SER . 89.9 p -95.06 -80.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 72.25 110.002 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.56 -22.14 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 42.25 111.0 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 25.5 mt-10 -117.85 176.66 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 75.12 110.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.556 HD11 HD13 ' A' ' 105' ' ' LEU . 2.5 pt -149.91 121.73 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.55 109.344 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.556 ' OD1' ' NE2' ' A' ' 139' ' ' GLN . 0.2 OUTLIER -87.46 174.81 8.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 73.24 109.304 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.804 HD11 ' HB3' ' A' ' 85' ' ' LEU . 5.3 tp -47.42 -24.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.11 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.42 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 6.5 mm100 -83.95 -57.66 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 71.35 110.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.695 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 56.4 mt-30 -62.77 -56.07 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 73.33 110.276 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.436 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 38.4 t80 -43.1 -48.91 6.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 63.33 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.409 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -61.96 -32.79 73.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 73.22 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -48.84 -44.35 39.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 54.01 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -41.51 80.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 75.32 109.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.57 ' N ' HD23 ' A' ' 144' ' ' LEU . 3.2 mt -70.58 -20.67 62.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 73.33 109.302 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 142' ' ' ALA . 3.5 m -134.86 54.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 72.52 109.967 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 142' ' ' ALA . 0.1 OUTLIER -177.25 113.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 62.23 109.308 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -142.72 77.14 0.29 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 44.43 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 10.2 t -72.01 -54.41 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 0.725 . . . . 62.34 109.953 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.1 m -90.69 36.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 74.14 109.989 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.422 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 11.9 p -121.96 -175.99 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 51.44 110.406 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 174.93 -66.26 0.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.47 1.106 . . . . 65.11 110.965 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.495 ' CG2' ' CD ' ' A' ' 7' ' ' GLU . 2.5 m -149.72 20.12 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 55.41 110.356 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.52 -47.05 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 74.34 110.309 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.422 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 14.0 mmt180 -81.14 -23.81 38.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 65.45 110.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.446 ' CD ' ' HA ' ' A' ' 453' ' ' THR . 0.2 OUTLIER -57.81 -26.36 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 70.45 109.337 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -85.47 -19.98 30.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 70.43 109.289 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -52.8 58.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.44 109.3 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.441 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 2.4 ptp85 -66.77 -25.81 66.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 71.5 110.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.782 ' HA ' HD22 ' A' ' 463' ' ' LEU . 14.8 t30 -67.83 -29.9 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 51.21 109.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.743 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -56.45 -27.0 55.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 64.12 109.287 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.702 HG23 ' CE1' ' A' ' 92' ' ' PHE . 8.6 mt -88.77 -32.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.5 109.258 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.782 HD22 ' HA ' ' A' ' 460' ' ' ASN . 1.0 OUTLIER -49.94 -43.53 50.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 73.13 109.309 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.766 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -70.33 -61.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 75.23 109.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.075 HD11 HG21 ' A' ' 112' ' ' ILE . 22.9 mt -47.92 -24.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 63.22 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -83.24 -71.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.092 . . . . 75.51 109.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 470' ' ' ARG . 16.8 mttp -51.85 -63.05 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 73.05 109.308 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.648 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 58.4 t -38.75 -44.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 44.41 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 16.8 t -66.69 -46.88 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 75.12 110.035 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.5 tmt_? -55.2 -43.79 74.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.22 110.288 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.649 ' HE3' HD11 ' A' ' 51' ' ' LEU . 5.0 mtm -46.8 -23.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 74.43 111.005 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 7.2 t80 -88.51 -30.45 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 55.32 110.993 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 470' ' ' ARG . 3.6 t -85.15 -2.32 57.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 52.32 110.017 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 471' ' ' MET . 10.8 p -111.05 -48.89 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 74.14 109.317 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.1 OUTLIER -40.45 -36.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 73.45 109.308 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 70.3 110.289 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.013 -0.835 . . . . 70.3 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t -44.66 111.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 72.35 109.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -121.65 144.67 48.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 74.53 110.024 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -135.49 69.5 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 70.31 109.305 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 12' ' ' PHE . 2.9 mt -113.73 178.77 4.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 71.43 109.29 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p -123.71 166.16 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 62.34 110.424 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -52.13 -33.65 40.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 73.12 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.72 -27.19 63.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 65.23 110.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -75.4 -39.28 59.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.03 110.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.163 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.7 mm -63.75 -21.33 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 73.44 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.29 -12.61 60.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 64.12 109.257 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 5.8 mm-40 -84.53 -70.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 53.02 110.315 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' CE2' HD13 ' A' ' 4' ' ' LEU . 63.9 m-85 -40.67 -28.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 74.11 111.01 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mttt -47.37 -48.53 25.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 63.32 109.324 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -58.04 -37.07 73.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 75.44 110.321 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.649 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -72.47 -15.44 61.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 70.22 109.272 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.9 t80 -82.54 -37.05 25.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 72.42 111.014 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -21.02 66.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 75.21 109.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.899 HD21 ' HG3' ' A' ' 461' ' ' LYS . 54.1 mt -49.09 -42.67 39.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 75.43 109.32 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' HZ ' HG11 ' A' ' 468' ' ' VAL . 18.6 m-85 -106.5 -51.44 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 72.4 111.025 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.582 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.78 92.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 64.32 109.272 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.605 ' HE3' HG21 ' A' ' 34' ' ' THR . 41.3 mmtt -70.52 -65.06 0.78 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.633 1.682 . . . . 72.2 109.316 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -75.91 -6.17 49.58 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 117.905 -1.045 . . . . 71.22 109.962 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 49.24 56.91 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 73.4 109.294 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 17.0 p-10 -90.06 -20.93 22.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 65.44 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.14 30.34 3.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 73.1 111.025 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.77 111.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 74.5 110.002 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 47.4 mt -86.56 107.81 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 75.25 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 p -67.37 172.34 5.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 72.13 109.999 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.445 ' O ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -72.53 -34.24 67.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 64.35 110.03 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -20.44 61.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 71.3 109.996 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.655 ' O ' HG22 ' A' ' 34' ' ' THR . 46.3 mt-10 -90.71 -46.33 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 75.02 110.276 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.01 HD22 HG13 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -59.26 -41.87 89.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.25 109.345 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.637 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -72.59 -12.32 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 70.5 109.336 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -70.35 -30.45 67.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 74.13 110.384 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.54 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -87.62 -55.89 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 73.44 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.542 ' HE3' ' HB2' ' A' ' 472' ' ' PHE . 68.2 mtp -38.73 -56.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 75.22 111.004 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 5.3 ptp180 -62.82 -35.12 78.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 61.24 110.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -55.85 -36.79 67.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 52.15 110.035 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.958 HD13 HG23 ' A' ' 465' ' ' ILE . 11.6 mt -71.63 -19.12 62.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 53.54 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.34 5.8 9.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.548 1.155 . . . . 64.01 110.968 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.401 HD11 ' OG ' ' A' ' 469' ' ' SER . 17.0 mt -81.53 -174.48 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 73.44 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.462 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 20.1 t -163.32 61.41 1.03 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 51.33 110.036 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.556 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.99 147.91 34.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 62.02 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -91.91 140.46 29.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 61.4 110.025 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.3 tt0 -46.22 -28.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 75.13 110.274 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.83 77.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 65.11 109.292 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' HB3' HD21 ' A' ' 475' ' ' LEU . 2.5 mm-40 -75.2 -51.36 13.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 54.2 110.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.01 HG13 HD22 ' A' ' 32' ' ' LEU . 51.8 t -40.59 -39.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 70.14 109.298 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 93.0 m-20 -65.02 -61.36 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 70.54 109.312 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -15.14 11.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 73.02 109.26 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -78.22 -55.94 4.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 75.53 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.543 ' CB ' HD11 ' A' ' 63' ' ' ILE . 8.0 ptm -77.75 -14.59 59.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 74.12 111.032 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 2.1 m120 -82.55 -9.81 59.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 73.44 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.485 ' C ' HD13 ' A' ' 55' ' ' ILE . 47.3 mt-10 -85.7 -12.84 50.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 72.35 110.3 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.875 HG21 ' HB2' ' A' ' 71' ' ' LEU . 1.9 mm -117.52 -38.25 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 64.12 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.2 t0 -37.37 114.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 72.23 109.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 89.5 t -90.27 -17.32 8.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 123.642 1.687 . . . . 44.23 109.364 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 47.4 p-10 -109.57 -6.17 15.47 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.892 -1.051 . . . . 60.13 109.965 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.69 42.41 77.63 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 73.14 111.045 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.405 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 39.9 p-10 -97.25 12.37 33.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 71.44 109.327 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.67 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 7.0 t-80 64.97 30.65 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 71.23 109.648 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 38.9 mt-30 -150.48 -177.77 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 74.31 110.322 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.543 HD11 ' CB ' ' A' ' 52' ' ' MET . 0.3 OUTLIER -130.14 126.45 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 72.02 109.326 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.07 175.29 6.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 75.25 110.319 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 1.163 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 4.6 t80 -75.93 -10.57 59.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.04 111.033 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.533 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 58.7 m -95.16 -28.75 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 74.33 109.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 11.1 mt-10 -87.82 -48.62 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 62.23 110.259 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -59.05 -43.06 91.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 72.31 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.1 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -70.16 -24.64 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 63.14 109.338 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.1 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -86.13 -15.38 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 65.25 109.339 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.974 HD21 ' SD ' ' A' ' 471' ' ' MET . 8.9 tp -71.31 -50.09 36.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 62.32 109.277 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -56.55 -16.76 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 70.4 110.993 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -100.98 -16.39 17.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 65.23 109.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -117.67 53.65 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.34 110.313 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.494 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 7.0 mm-40 -144.49 -64.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 72.22 110.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 80' ' ' ASP . 4.0 mp -65.69 133.57 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 75.11 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -117.41 -87.41 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 74.24 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.1 t -78.31 -90.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 71.12 109.992 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.43 ' HB2' ' CB ' ' A' ' 82' ' ' GLU . 0.8 OUTLIER -72.06 68.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 54.51 109.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.643 ' HB3' HD23 ' A' ' 76' ' ' LEU . 33.9 m-20 -48.07 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.23 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.8 t -37.54 -60.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 75.32 110.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' CB ' ' HB2' ' A' ' 79' ' ' ASN . 1.9 mt-10 -36.67 -46.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 73.33 110.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.617 HE21 HD21 ' A' ' 86' ' ' LEU . 2.1 mm-40 -62.48 -61.68 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 65.45 110.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.579 ' OE1' HD23 ' A' ' 463' ' ' LEU . 0.3 OUTLIER -61.12 -11.71 9.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.15 110.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.058 HD22 HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -84.09 -61.83 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 75.43 109.319 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.617 HD21 HE21 ' A' ' 83' ' ' GLN . 2.9 pp -59.69 -35.46 74.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 64.22 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.524 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 28.3 mm-40 -66.56 -36.54 82.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 72.13 110.33 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.903 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -90.18 -12.87 36.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 65.11 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' LEU . 16.6 t80 -75.69 -63.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 75.24 110.988 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -10.0 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.22 109.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 1.8 t -84.0 -47.28 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 72.14 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.796 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.9 m-85 -73.93 -38.51 64.26 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.596 1.665 . . . . 74.43 111.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.12 102.18 4.83 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.928 -1.034 . . . . 72.41 110.0 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.08 -32.83 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 75.23 109.269 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.99 -44.51 30.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 72.52 109.288 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.58 75.92 1.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 74.45 111.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.64 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -130.63 4.69 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 71.12 109.297 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 136' ' ' ASN . . . 81.11 6.09 89.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 61.05 110.96 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.792 HD23 ' HB3' ' A' ' 136' ' ' ASN . 1.4 mt -142.31 121.32 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 45.4 109.277 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.596 HD13 ' CB ' ' A' ' 92' ' ' PHE . 53.9 mt -83.71 107.09 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 41.12 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.4 t -70.13 174.29 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 71.31 110.023 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.557 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -50.91 -66.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 75.15 109.256 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.469 ' C ' ' N ' ' A' ' 105' ' ' LEU . . . -43.77 -64.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 75.24 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 100' ' ' ILE . 79.3 mt-10 -41.03 -25.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 75.21 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.74 ' CD1' HD11 ' A' ' 135' ' ' ILE . 1.0 OUTLIER -94.46 -73.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 75.12 109.325 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.49 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -42.69 -56.45 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 71.3 109.323 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.783 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -48.63 -36.66 16.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 72.42 109.595 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.796 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -73.04 -42.11 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 64.42 109.252 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.577 HD23 HD23 ' A' ' 105' ' ' LEU . 1.1 mm? -61.07 -34.91 75.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 65.55 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -76.16 -30.37 58.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 73.45 110.371 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -14.24 29.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 63.11 109.974 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.812 HG21 HD11 ' A' ' 465' ' ' ILE . 16.7 pt -110.63 -33.15 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 75.14 109.323 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.22 -39.16 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.455 1.097 . . . . 75.52 111.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.472 ' CB ' HD12 ' A' ' 109' ' ' LEU . 20.9 mm-40 -50.28 114.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 64.21 110.318 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -113.28 97.99 6.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 72.4 109.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 120' ' ' GLU . 5.5 mp -113.13 142.69 45.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 74.43 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLU . 20.9 p -70.85 148.24 48.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 62.33 110.388 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -43.84 -29.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 64.04 109.318 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 117' ' ' THR . . . -80.25 -46.73 15.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 55.31 109.26 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.542 ' HB3' HD23 ' A' ' 116' ' ' LEU . 45.8 mm-40 -55.02 -45.33 75.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 63.24 110.342 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 122' ' ' ASP . 7.6 p -72.64 -53.63 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 73.05 109.259 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.553 ' N ' HG13 ' A' ' 121' ' ' VAL . 8.0 t70 -49.32 -23.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 74.33 109.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 121' ' ' VAL . 1.5 t70 -90.92 -33.92 15.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 73.12 109.281 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 121' ' ' VAL . 27.1 ttm -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 70.3 110.97 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' A' ' 102' ' ' ALA . 6.1 mt -70.0 -52.14 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.03 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 125' ' ' LEU . 34.7 mtt180 -36.99 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 72.22 110.318 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 125' ' ' LEU . 51.1 mt-10 -46.54 -50.63 16.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 71.01 110.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.517 HG11 ' CB ' ' A' ' 142' ' ' ALA . 21.1 m -132.82 14.98 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 71.35 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.4 p -99.12 -13.61 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 64.42 110.011 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 46.3 t0 59.05 24.97 13.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 64.23 109.314 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.82 -5.78 60.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 34.14 110.999 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' A' ' 133' ' ' GLY . 24.0 p -45.91 -68.61 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 74.21 110.004 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.484 ' N ' ' OG ' ' A' ' 132' ' ' SER . . . 138.27 -7.84 3.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 73.42 111.011 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 23.3 mt-10 -147.39 158.24 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 70.2 110.3 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.74 HD11 ' CD1' ' A' ' 105' ' ' LEU . 4.0 pt -125.39 122.48 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.12 109.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.792 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.12 177.63 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 72.52 109.292 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.716 HD12 HD12 ' A' ' 85' ' ' LEU . 8.8 tp -49.56 -22.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 61.42 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 136' ' ' ASN . 6.6 mm100 -84.61 -56.87 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 60.21 110.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.638 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 63.0 mt-30 -66.01 -57.26 8.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 73.33 110.296 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 85' ' ' LEU . 17.2 t80 -44.74 -46.11 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 64.23 110.998 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.757 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -58.82 -33.35 70.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 42.33 109.305 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -51.82 -43.43 63.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 71.44 109.26 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.0 -45.71 87.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 72.1 109.346 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.058 HD12 HD22 ' A' ' 85' ' ' LEU . 7.9 mt -70.9 -6.98 42.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.24 109.25 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 m -145.66 49.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 75.32 109.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 142' ' ' ALA . 7.5 tptm -90.3 -80.55 0.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 72.33 109.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.21 72.63 0.79 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.13 . . . . 71.03 111.017 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.4 p -155.68 129.79 8.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 52.51 109.971 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 12.6 m 39.66 59.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 73.53 110.013 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.552 HG22 ' HB2' ' A' ' 455' ' ' ARG . 27.2 p -106.61 -64.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 73.43 110.404 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 453' ' ' THR . . . 68.98 26.87 74.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 64.22 110.989 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 151' ' ' GLY . 1.4 m 83.04 30.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 70.42 110.387 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 -124.36 -41.62 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 53.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.552 ' HB2' HG22 ' A' ' 150' ' ' THR . 49.2 mmt-85 -89.55 -34.81 16.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 74.41 110.339 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.525 ' CB ' ' NH2' ' A' ' 459' ' ' ARG . 0.0 OUTLIER -61.32 -17.81 55.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.03 109.29 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.88 -15.87 27.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 71.53 109.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.6 OUTLIER -69.13 -45.37 70.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 74.1 109.267 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.525 ' NH2' ' CB ' ' A' ' 456' ' ' LYS . 1.3 ptp85 -74.08 -26.24 60.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 73.23 110.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.598 ' HA ' HD12 ' A' ' 463' ' ' LEU . 10.1 t30 -62.14 -34.3 76.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 75.24 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.899 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -60.03 -26.4 66.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 75.52 109.313 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.65 HG23 ' HE1' ' A' ' 92' ' ' PHE . 15.8 mt -89.65 -37.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 71.33 109.345 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 460' ' ' ASN . 93.0 mt -42.41 -46.73 4.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 75.34 109.254 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.899 ' O ' HG22 ' A' ' 468' ' ' VAL . . . -70.46 -59.71 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 75.32 109.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.958 HG23 HD13 ' A' ' 39' ' ' LEU . 90.1 mt -39.29 -31.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 65.3 109.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.903 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -85.98 -70.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 63.41 109.271 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 469' ' ' SER . 6.5 mttp -42.93 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 74.11 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 464' ' ' ALA . 4.5 m -38.49 -31.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 71.33 109.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -77.6 -52.86 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 72.13 110.027 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -53.41 -42.9 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 73.34 110.308 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.974 ' SD ' HD21 ' A' ' 71' ' ' LEU . 4.7 mtp -49.46 -22.46 1.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 61.23 111.017 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 11.0 t80 -90.13 -26.79 20.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 72.54 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 470' ' ' ARG . 0.9 OUTLIER -90.75 -3.42 57.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 70.01 109.968 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 471' ' ' MET . 8.8 p -106.52 -49.76 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 74.31 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.471 ' N ' HG13 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -41.81 -36.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 63.21 109.311 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.41 110.304 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.024 -0.83 . . . . 64.41 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.7 m -107.47 -178.58 3.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 51.33 110.0 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 p -39.39 117.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 72.35 109.958 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -89.15 44.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 74.13 109.295 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.676 HD13 ' CE2' ' A' ' 12' ' ' PHE . 2.5 mt -122.8 155.37 36.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 75.4 109.261 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.6 p -106.24 161.96 14.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 74.44 110.393 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -47.54 -29.71 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 74.51 110.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.82 -33.68 57.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 72.12 110.252 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' THR . 26.2 mm100 -69.41 -37.13 77.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 70.24 110.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.148 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -63.19 -20.29 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.24 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.03 -15.48 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 73.32 109.279 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 34.2 mt-10 -81.36 -62.06 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 70.12 110.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.676 ' CE2' HD13 ' A' ' 4' ' ' LEU . 62.9 m-85 -51.35 -19.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 73.41 111.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.3 mttt -56.15 -46.26 79.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 72.04 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.625 ' CD ' ' HB1' ' A' ' 457' ' ' ALA . 13.3 mt-10 -57.82 -31.13 66.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 61.33 110.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.912 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -77.52 -16.27 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 64.45 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.469 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 16.4 t80 -83.75 -34.46 24.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 54.43 110.994 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.86 -19.48 65.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 63.44 109.255 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.75 HD21 ' HG2' ' A' ' 461' ' ' LYS . 47.0 mt -52.31 -38.62 59.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 72.1 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 26.4 m-85 -106.45 -51.82 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 62.25 110.999 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -51.01 92.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 75.21 109.251 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.616 ' CE ' HG21 ' A' ' 34' ' ' THR . 24.2 mmtt -68.58 -67.68 0.45 Allowed 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 123.665 1.698 . . . . 70.04 109.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -76.23 -15.24 60.07 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.901 -1.047 . . . . 71.33 109.983 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.62 63.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 71.21 109.299 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.7 p30 -97.16 -15.64 20.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 53.31 109.293 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 100.16 31.64 5.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 63.11 111.057 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.34 111.67 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 74.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 31.8 mt -89.11 104.72 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 72.21 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -69.56 179.68 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.0 109.96 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.29 -37.25 74.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 73.02 109.991 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -19.34 62.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 64.5 109.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 34' ' ' THR . 34.5 mt-10 -90.48 -47.71 7.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 74.11 110.269 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.928 HD22 HG13 ' A' ' 48' ' ' VAL . 3.4 tt -59.41 -50.4 74.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 60.4 109.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.579 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -66.13 -12.42 55.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 72.34 109.275 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.616 HG21 ' CE ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -70.43 -27.52 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 73.42 110.364 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -90.25 -53.95 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 61.22 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.651 ' CE ' HD13 ' A' ' 41' ' ' LEU . 81.5 mmm -42.0 -51.08 4.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.33 111.026 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' SER . 16.9 ptp180 -65.44 -40.27 93.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 73.5 110.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 72.5 m -54.73 -29.42 53.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 63.32 109.998 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.076 HD13 HG23 ' A' ' 465' ' ' ILE . 14.0 mt -81.46 -21.85 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 72.21 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.01 3.35 8.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 75.42 111.017 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.651 HD13 ' CE ' ' A' ' 36' ' ' MET . 16.5 mt -78.7 -175.72 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 64.55 109.273 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.468 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.3 t -162.56 61.1 1.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.04 110.001 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.03 142.71 28.1 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 75.33 111.001 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.99 141.85 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 71.41 109.953 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 36.6 tt0 -44.48 -30.08 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 75.42 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.99 -50.55 73.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 65.33 109.291 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.508 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.2 mt-10 -77.41 -51.33 10.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 70.55 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.928 HG13 HD22 ' A' ' 32' ' ' LEU . 73.0 t -40.61 -34.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 74.4 109.284 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' ASN . 88.0 m-20 -66.17 -66.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.15 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -54.09 -18.8 4.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 73.34 109.272 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 471' ' ' MET . 0.2 OUTLIER -76.09 -55.67 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 72.12 109.338 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 49' ' ' ASN . 10.4 ptm -79.95 -8.17 59.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 62.44 111.017 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' ASN . 3.1 m-80 -88.21 -8.26 55.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.45 109.324 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 1.018 ' C ' HD13 ' A' ' 55' ' ' ILE . 1.3 mt-10 -92.99 -9.13 41.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 55.32 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 1.018 HD13 ' C ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -114.85 -43.7 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 74.33 109.313 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.485 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 6.4 t0 -37.6 113.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 73.44 109.298 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.472 HG12 ' OE1' ' A' ' 67' ' ' GLU . 2.1 p -93.96 -26.69 4.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-O 123.645 1.688 . . . . 65.51 109.278 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 55.1 p30 -94.86 -9.8 33.24 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.937 -1.03 . . . . 73.11 109.996 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 63.85 38.99 96.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 40.54 110.972 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.485 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 33.6 p-10 -101.16 21.3 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 70.14 109.331 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 59.2 t-80 51.49 43.85 29.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 70.14 109.573 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 41.5 mt-30 -159.06 179.79 8.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 75.4 110.265 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.16 124.48 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.31 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 10.7 mt-10 -96.48 174.48 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.44 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 1.148 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 2.9 t80 -75.39 -11.57 60.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 75.12 111.041 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 8.6 t -91.07 -32.57 15.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.1 109.981 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.472 ' OE1' HG12 ' A' ' 57' ' ' VAL . 6.1 mt-10 -85.5 -47.57 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.21 110.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -58.66 -43.53 89.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 74.22 111.028 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.095 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -74.28 -21.4 59.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 73.14 109.313 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.095 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -84.53 -15.45 45.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 64.41 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.551 ' CD1' HD12 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -76.97 -53.62 7.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 72.24 109.272 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -46.81 -22.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.42 111.004 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -114.17 37.93 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 64.24 109.999 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LEU . 4.5 ttt-85 -144.11 -48.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.31 110.259 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.503 ' CG ' ' HG ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -59.02 -73.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 65.42 110.32 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.852 HD11 ' CE ' ' A' ' 467' ' ' LYS . 1.6 mp -44.57 135.08 5.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 73.43 109.306 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -126.82 -87.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 75.21 109.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.3 p -81.01 -87.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 62.34 109.992 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.421 ' HB2' ' CB ' ' A' ' 82' ' ' GLU . 1.5 p30 -74.75 60.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 74.31 109.262 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.467 ' HA ' ' HB3' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -46.13 -89.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 74.21 109.299 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.503 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -37.45 -60.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 71.24 110.037 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 79' ' ' ASN . 1.8 mt-10 -39.48 -41.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 71.42 110.275 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.2 tp-100 -65.73 -65.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 64.31 110.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' CG ' ' HA ' ' A' ' 81' ' ' SER . 7.6 pt-20 -55.98 -16.14 4.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 70.12 110.347 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.81 ' HG ' ' HB2' ' A' ' 141' ' ' ALA . 0.4 OUTLIER -75.31 -67.28 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 75.41 109.293 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 87' ' ' GLU . 3.7 pp -57.15 -43.5 82.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.44 109.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.451 ' N ' HD12 ' A' ' 86' ' ' LEU . 32.0 mm-40 -56.48 -39.53 73.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 61.31 110.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.848 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -90.99 -12.34 36.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 75.2 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 85' ' ' LEU . 48.4 t80 -71.87 -55.64 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 75.34 111.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -1.24 21.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 65.34 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -96.3 -35.72 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 74.42 109.293 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.795 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.6 m-85 -86.48 -35.36 19.67 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 123.634 1.683 . . . . 72.22 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -76.09 101.06 5.17 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 117.897 -1.049 . . . . 71.55 109.948 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -31.97 19.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 73.43 109.276 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.31 -51.04 12.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 73.24 109.271 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 94.26 67.72 1.04 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 74.32 111.011 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.681 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -127.15 3.0 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 60.31 109.317 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.877 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 77.58 18.09 78.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 52.05 111.036 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.877 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.0 mt -149.88 115.84 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 74.41 109.319 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.624 HD13 ' CB ' ' A' ' 92' ' ' PHE . 55.9 mt -79.61 103.61 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 75.24 109.32 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 133' ' ' GLY . 38.7 t -72.06 173.4 8.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 63.03 110.028 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.633 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -45.63 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 71.24 109.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' C ' ' N ' ' A' ' 105' ' ' LEU . . . -41.68 -66.39 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 74.44 109.349 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -40.69 -27.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 65.13 110.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.776 HD12 ' HE2' ' A' ' 92' ' ' PHE . 41.9 tp -90.56 -73.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 63.31 109.339 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.554 ' CB ' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.44 -61.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 75.12 109.286 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.85 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.53 -41.98 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 71.1 109.616 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.85 HG23 ' CE1' ' A' ' 107' ' ' HIS . 1.7 t -68.95 -39.56 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 71.21 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.041 HD12 HD12 ' A' ' 116' ' ' LEU . 1.1 mt -61.8 -37.51 84.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.43 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.914 HG23 ' HG2' ' A' ' 115' ' ' LYS . 52.1 m -75.13 -8.04 55.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 75.13 110.377 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.722 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -84.34 -19.63 33.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 64.45 110.023 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.027 HG21 HD11 ' A' ' 465' ' ' ILE . 5.8 pt -92.47 -26.05 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 75.34 109.292 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 129.13 1.09 5.82 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.488 1.117 . . . . 72.45 111.031 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.826 ' OE1' HD13 ' A' ' 109' ' ' LEU . 3.6 pt-20 -112.05 121.81 46.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 54.35 110.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.914 ' HG2' HG23 ' A' ' 110' ' ' THR . 5.2 mtmm -109.87 110.64 21.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 74.23 109.318 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 1.041 HD12 HD12 ' A' ' 109' ' ' LEU . 75.3 mt -96.75 138.02 34.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 61.22 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' GLU . 45.4 p -60.47 145.25 49.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 64.43 110.399 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 2.0 m-20 -42.68 -33.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 75.14 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 123' ' ' ASP . . . -77.82 -45.02 25.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 73.52 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' THR . 17.3 mm-40 -54.24 -44.08 71.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 41.25 110.331 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' A' ' 106' ' ' LYS . 7.9 p -78.5 -52.31 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 55.52 109.283 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.558 ' HA ' HD12 ' A' ' 125' ' ' LEU . 23.0 t70 -55.85 -21.19 18.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 61.12 109.308 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 119' ' ' ALA . 7.1 t0 -91.22 -36.0 14.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 63.43 109.302 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.527 ' O ' HD21 ' A' ' 143' ' ' LEU . 18.5 ttm -61.6 -32.77 72.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 71.15 111.036 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.633 HD11 ' HA ' ' A' ' 102' ' ' ALA . 4.7 mt -68.89 -56.99 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 65.33 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 125' ' ' LEU . 25.6 mtt-85 -37.3 -30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 74.31 110.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.4 mm-40 -45.9 -50.69 14.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 71.5 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.655 HG11 ' CB ' ' A' ' 142' ' ' ALA . 31.0 m -132.7 13.67 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 61.32 109.34 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.0 p -98.47 8.27 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 71.23 110.003 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 129' ' ' SER . 27.4 t70 39.58 45.2 1.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 72.34 109.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.04 45.71 71.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 23.03 110.985 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 129' ' ' SER . 40.8 t -101.71 -74.17 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.767 . . . . 74.11 110.011 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 101' ' ' SER . . . 147.07 -15.17 1.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 64.3 110.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -134.56 156.71 48.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 55.21 110.339 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.422 ' HB ' ' N ' ' A' ' 140' ' ' PHE . 2.4 pt -127.53 113.76 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 71.23 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.61 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -70.89 -173.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 62.4 109.313 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.658 HD12 HD12 ' A' ' 85' ' ' LEU . 4.7 tp -60.58 -24.54 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 73.41 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.455 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 7.5 mm100 -83.74 -57.11 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 74.33 110.303 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.574 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 63.4 mt-30 -59.39 -53.84 53.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 55.13 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.494 ' CD2' HD13 ' A' ' 85' ' ' LEU . 11.4 t80 -47.55 -37.27 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.45 111.01 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.81 ' HB2' ' HG ' ' A' ' 85' ' ' LEU . . . -74.06 -28.71 61.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 73.02 109.339 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.655 ' CB ' HG11 ' A' ' 128' ' ' VAL . . . -53.76 -47.11 71.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 61.45 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.527 HD21 ' O ' ' A' ' 124' ' ' MET . 0.8 OUTLIER -58.63 -42.06 87.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 72.14 109.285 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.776 HD12 HD22 ' A' ' 85' ' ' LEU . 4.6 mt -68.1 -14.89 63.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 73.22 109.27 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' ALA . 0.3 OUTLIER -142.11 51.45 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 43.25 110.011 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 142' ' ' ALA . 9.2 tptt -176.72 112.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 74.31 109.285 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.472 ' HA3' HG21 ' A' ' 150' ' ' THR . . . -146.7 92.66 0.15 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.553 1.158 . . . . 72.42 110.956 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.25 -54.68 10.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 72.45 109.985 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.7 p -91.2 34.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 72.03 109.999 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.545 HG22 ' CB ' ' A' ' 455' ' ' ARG . 34.3 p -111.71 -177.54 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 72.11 110.406 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.429 ' O ' ' CE ' ' A' ' 456' ' ' LYS . . . 170.05 -71.07 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 32.34 111.022 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 5.4 m -142.83 14.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 72.21 110.346 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.81 -50.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 73.31 110.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.545 ' CB ' HG22 ' A' ' 150' ' ' THR . 44.2 mmt-85 -78.71 -19.76 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 72.4 110.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.448 ' HA ' ' NH2' ' A' ' 459' ' ' ARG . 4.5 ptpt -61.95 -27.76 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 73.44 109.315 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 457' ' ' ALA . . . . . 0.625 ' HB1' ' CD ' ' A' ' 14' ' ' GLU . . . -82.76 -19.22 38.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 74.23 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.507 HD11 ' HE1' ' A' ' 124' ' ' MET . 0.2 OUTLIER -64.72 -59.35 4.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 75.31 109.317 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.73 ' O ' HD13 ' A' ' 463' ' ' LEU . 2.0 ptp85 -59.44 -25.4 64.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 72.22 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.481 ' OD1' ' HB2' ' A' ' 15' ' ' ALA . 6.9 t30 -70.74 -32.22 69.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 64.33 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.75 ' HG2' HD21 ' A' ' 18' ' ' LEU . 2.9 ttmt -56.88 -26.24 58.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 75.12 109.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.784 HG23 ' CE1' ' A' ' 92' ' ' PHE . 39.9 mt -89.51 -29.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 73.45 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.758 ' HG ' ' HZ2' ' A' ' 467' ' ' LYS . 6.3 mp -52.76 -59.71 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 73.52 109.24 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.912 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -51.89 -58.14 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 51.33 109.311 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.076 HG23 HD13 ' A' ' 39' ' ' LEU . 43.1 mt -44.56 -26.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 72.43 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.848 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -85.89 -72.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 74.44 109.346 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.852 ' CE ' HD11 ' A' ' 76' ' ' LEU . 1.7 mptt -44.22 -64.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 63.53 109.291 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.8 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 34.3 t -44.93 -45.26 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.43 109.327 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 12.1 t -64.25 -32.62 74.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 74.51 109.97 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.5 OUTLIER -71.58 -40.56 69.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 74.43 110.281 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.598 ' HB3' HD21 ' A' ' 51' ' ' LEU . 5.3 mtm -47.46 -28.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 64.23 111.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 13.7 t80 -88.25 -26.02 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 73.11 111.048 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 470' ' ' ARG . 4.1 m -89.09 -2.07 58.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 62.5 110.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 475' ' ' LEU . 11.7 p -111.34 -48.57 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 65.52 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -39.17 -36.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 62.25 109.308 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 52.33 110.327 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.957 -0.857 . . . . 32.54 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 98.3 p -143.12 138.38 29.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 72.32 109.97 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -122.56 152.19 40.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 51.52 109.966 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.06 35.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 72.53 109.266 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.857 HD13 ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -98.81 146.8 25.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 75.11 109.285 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 p -94.76 170.32 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 53.14 110.414 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -56.63 -20.58 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 74.15 110.266 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -83.92 -23.73 31.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 74.01 110.293 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.407 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 9.3 mm100 -81.07 -34.72 32.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 61.11 110.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.864 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 2.0 mm -61.88 -28.03 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 73.44 109.312 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.59 -12.19 60.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 64.32 109.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.605 ' OE2' HG23 ' A' ' 453' ' ' THR . 22.8 mm-40 -81.08 -64.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 72.32 110.298 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.857 ' CE2' HD13 ' A' ' 4' ' ' LEU . 82.2 m-85 -44.97 -25.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 63.24 110.958 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.0 mttt -55.84 -45.5 78.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 71.41 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.13 -37.58 80.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 64.33 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -75.02 -15.16 60.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 60.01 109.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.5 t80 -79.72 -46.49 16.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 73.12 111.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' LEU . . . -53.33 -29.65 35.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 65.25 109.319 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.905 HD21 ' HG2' ' A' ' 461' ' ' LYS . 84.2 mt -39.78 -42.18 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 73.42 109.286 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.636 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 21.8 m-85 -109.64 -39.06 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 70.35 110.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -66.77 84.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 62.32 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.632 ' HE3' HG21 ' A' ' 34' ' ' THR . 21.0 mmtt -65.39 -67.37 0.45 Allowed 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.605 1.669 . . . . 73.2 109.345 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -73.2 -16.71 61.41 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 117.942 -1.028 . . . . 63.31 110.015 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 63.1 62.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 73.12 109.299 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 19.7 p30 -99.24 -3.6 33.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 75.44 109.25 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.1 32.88 19.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 74.51 110.947 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.91 111.75 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 0.741 . . . . 71.11 110.026 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' ' 19' ' ' PHE . 30.4 mt -91.68 101.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 72.42 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 p -68.92 164.01 23.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.43 109.981 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -41.44 71.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 44.43 110.0 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -18.21 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 73.14 109.981 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.657 ' O ' HG22 ' A' ' 34' ' ' THR . 48.2 mt-10 -90.45 -49.21 6.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 64.25 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.139 HD22 HG13 ' A' ' 48' ' ' VAL . 1.3 tt -58.26 -42.52 86.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 72.22 109.33 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -71.88 -12.7 61.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 45.42 109.307 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -71.77 -29.07 64.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 61.2 110.358 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.545 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -91.13 -60.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 64.02 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.756 ' CE ' HD13 ' A' ' 41' ' ' LEU . 80.9 mmm -37.24 -52.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.34 110.997 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' SER . 11.8 ptp180 -62.86 -42.19 99.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 65.02 110.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' VAL . 74.1 m -58.59 -26.73 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 65.21 109.972 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.048 HD13 HG23 ' A' ' 465' ' ' ILE . 14.5 mt -78.69 -21.19 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 63.34 109.338 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.28 0.42 8.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.137 . . . . 72.55 111.014 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.756 HD13 ' CE ' ' A' ' 36' ' ' MET . 33.8 mt -80.01 -176.71 5.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 52.14 109.283 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.484 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 10.9 t -162.73 60.23 0.98 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 63.44 109.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.94 148.33 35.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 75.42 111.017 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m -91.22 139.84 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 72.43 109.978 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 55.2 tt0 -48.38 -27.11 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 64.11 110.307 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.25 -48.46 75.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 60.54 109.3 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.858 ' HB3' HD21 ' A' ' 475' ' ' LEU . 2.0 mt-10 -76.3 -51.42 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.31 110.314 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.139 HG13 HD22 ' A' ' 32' ' ' LEU . 52.1 t -40.3 -29.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 53.34 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 47' ' ' GLU . 85.1 m-20 -74.55 -66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 62.22 109.319 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.791 ' HB3' HD13 ' A' ' 475' ' ' LEU . 33.0 t0 -49.95 -22.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 70.2 109.322 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.723 ' HB2' HD22 ' A' ' 475' ' ' LEU . 2.8 tt -81.59 -61.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 71.24 109.315 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.464 ' HE2' ' HB2' ' A' ' 52' ' ' MET . 5.2 ptm -63.12 -12.92 30.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 62.1 110.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -88.51 -13.65 39.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 64.55 109.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.693 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.6 mm-40 -81.48 -9.89 59.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.51 110.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.799 HG21 HD22 ' A' ' 71' ' ' LEU . 2.4 mm -117.89 -43.16 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 54.12 109.29 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 7.1 t0 -38.3 119.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 64.11 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.476 ' CG1' ' HG2' ' A' ' 67' ' ' GLU . 2.7 p -92.08 -31.71 4.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 CA-C-O 123.634 1.683 . . . . 74.41 109.27 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.6 p30 -93.03 -6.95 47.11 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.942 -1.028 . . . . 74.43 110.007 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.5 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.16 42.14 87.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 63.32 111.009 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.41 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 38.0 p-10 -97.39 12.49 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 73.1 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.684 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 5.8 t-80 64.35 32.65 11.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 62.14 109.621 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 42.1 mt-30 -153.07 -176.76 5.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.41 110.327 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.3 126.31 61.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 73.34 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 1.2 tt0 -94.71 174.62 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 73.44 110.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.864 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.4 t80 -73.74 -13.45 60.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 73.03 111.007 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.1 t -89.17 -43.85 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 73.43 109.96 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.476 ' HG2' ' CG1' ' A' ' 57' ' ' VAL . 11.5 mt-10 -71.85 -47.65 51.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 62.33 110.319 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -55.05 -43.81 74.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 62.22 110.961 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.779 HD22 HG23 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -72.48 -36.16 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 70.31 109.306 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.62 -14.46 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 75.3 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.903 HD21 ' SD ' ' A' ' 471' ' ' MET . 8.7 tp -76.24 -49.82 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 71.5 109.249 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.486 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.8 OUTLIER -59.73 -42.96 94.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 71.44 111.002 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -6.29 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 54.1 109.965 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.486 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -132.69 29.37 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 72.33 110.313 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.477 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -120.44 13.04 11.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.13 110.296 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.951 HD13 ' CB ' ' A' ' 80' ' ' ASP . 62.8 mt -149.29 165.24 32.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 75.42 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -137.58 -66.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 72.34 109.299 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t -113.11 -76.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 43.52 110.024 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.0 60.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 72.34 109.314 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.951 ' CB ' HD13 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -54.52 -88.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 73.34 109.286 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.509 ' OG ' HD23 ' A' ' 85' ' ' LEU . 2.5 t -36.91 -58.59 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 60.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.52 -50.53 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 72.33 110.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -54.21 -62.4 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 70.14 110.28 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.829 ' OE2' HD13 ' A' ' 144' ' ' LEU . 7.2 pt-20 -63.19 -12.26 26.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 73.13 110.314 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.977 HD22 HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -78.95 -66.94 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 70.13 109.294 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 pp -49.1 -40.06 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 64.42 109.305 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 25.5 mm-40 -69.55 -60.04 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.13 110.253 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -60.54 -13.8 16.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 53.31 109.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 85' ' ' LEU . 47.5 t80 -85.61 -45.18 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 70.13 111.007 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -81.47 -3.18 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 63.42 109.299 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -98.48 -42.37 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.12 109.31 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.932 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.0 m-85 -69.81 -38.33 76.58 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.57 1.653 . . . . 73.04 111.01 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.7 100.67 2.88 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.899 -1.048 . . . . 63.33 110.002 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.45 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -87.28 -31.81 20.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 55.24 109.302 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.456 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -77.37 -45.8 24.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 64.44 109.282 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.58 77.06 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 73.42 111.016 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.684 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.07 10.21 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 72.41 109.294 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.863 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.53 19.34 74.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 72.14 111.038 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.3 mt -149.9 110.99 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 63.23 109.287 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.599 HD13 ' CB ' ' A' ' 92' ' ' PHE . 60.7 mt -76.29 103.75 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 61.31 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.71 177.19 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 62.15 110.027 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -47.18 -70.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 63.32 109.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -40.04 -66.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 51.33 109.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 37.0 mt-10 -38.45 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 64.14 110.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.768 HD23 HG23 ' A' ' 121' ' ' VAL . 4.0 tp -93.32 -72.96 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 72.42 109.271 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.632 ' HD2' HG11 ' A' ' 121' ' ' VAL . 18.7 ptmt -46.03 -57.42 4.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 73.41 109.287 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.658 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -48.39 -41.24 28.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 61.31 109.606 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.932 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -64.04 -55.41 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 61.2 109.256 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 109' ' ' LEU . 1.9 mm? -59.19 -22.83 61.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 73.21 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.6 m -84.81 -17.34 38.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 73.41 110.383 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.7 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -75.94 -12.98 60.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 52.21 109.994 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 465' ' ' ILE . 6.2 pt -108.24 -30.32 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 74.32 109.251 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 146.78 -30.92 1.51 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 23.23 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' HG3' ' CD ' ' A' ' 461' ' ' LYS . 13.1 mt-10 -64.55 110.45 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.746 . . . . 74.1 110.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -114.25 91.97 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 52.2 109.275 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.824 HD23 ' HB3' ' A' ' 120' ' ' GLU . 2.6 mp -88.87 135.9 33.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 65.43 109.324 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 120' ' ' GLU . 74.9 p -64.85 153.62 39.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 71.54 110.39 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 25.3 t70 -45.43 -40.32 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 65.21 109.313 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 123' ' ' ASP . . . -68.4 -39.07 81.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 75.14 109.269 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.824 ' HB3' HD23 ' A' ' 116' ' ' LEU . 14.4 mm-40 -63.79 -60.08 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 72.11 110.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.768 HG23 HD23 ' A' ' 105' ' ' LEU . 7.8 p -59.19 -56.34 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 74.53 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.556 ' N ' HG13 ' A' ' 121' ' ' VAL . 10.7 t70 -52.67 -21.97 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 71.02 109.254 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 3.8 t70 -91.73 -28.63 17.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 75.25 109.271 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.514 ' O ' ' CG ' ' A' ' 127' ' ' GLU . 15.6 tpp -66.9 -41.47 87.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 62.33 111.001 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 127' ' ' GLU . 10.7 mt -60.31 -55.25 35.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 61.41 109.317 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 19.1 mtt-85 -37.75 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 74.42 110.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 124' ' ' MET . 94.6 mt-10 -44.87 -49.25 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 55.32 110.315 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.546 HG22 HD21 ' A' ' 143' ' ' LEU . 33.5 m -132.03 10.34 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 41.44 109.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 132' ' ' SER . 1.5 p -97.74 3.25 50.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 53.24 110.034 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.9 t70 40.67 32.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 73.4 109.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.77 46.62 60.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 72.55 111.011 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 129' ' ' SER . 1.1 m -97.06 -72.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 62.54 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 147.31 -14.52 1.45 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 62.52 110.968 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -146.28 163.36 35.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 72.2 110.295 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.567 ' CD1' HD11 ' A' ' 143' ' ' LEU . 5.2 pt -131.31 131.1 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 74.42 109.298 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.509 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -97.06 -176.39 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 50.54 109.263 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.534 HG23 ' OE1' ' A' ' 138' ' ' GLN . 3.3 tp -53.44 -20.2 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 73.34 109.262 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.534 ' OE1' HG23 ' A' ' 137' ' ' ILE . 6.1 mm100 -86.61 -55.33 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 71.24 110.323 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 64.1 mt-30 -65.35 -57.85 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 73.23 110.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.726 ' CE2' HD13 ' A' ' 85' ' ' LEU . 17.9 t80 -44.77 -46.47 10.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 74.01 111.028 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.707 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -62.19 -31.89 72.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 72.1 109.252 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -58.75 -19.67 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 64.44 109.298 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 135' ' ' ILE . 85.7 mt -72.55 -66.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 62.34 109.291 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.977 HD12 HD22 ' A' ' 85' ' ' LEU . 10.0 mt -49.58 -22.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.42 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 143' ' ' LEU . 72.2 m -107.08 39.49 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 64.44 109.991 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.35 86.24 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.23 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -125.43 41.07 1.74 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 71.54 111.058 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 26.0 p -87.91 -59.26 2.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.744 . . . . 72.31 110.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.2 23.21 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 71.15 110.022 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.526 HG22 ' HB3' ' A' ' 455' ' ' ARG . 3.2 p -114.76 -159.47 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 72.41 110.432 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.411 ' C ' ' OG1' ' A' ' 453' ' ' THR . . . 163.38 -39.38 0.33 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 64.12 110.984 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.605 HG23 ' OE2' ' A' ' 11' ' ' GLU . 6.4 m -157.12 -43.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.8 . . . . 65.53 110.377 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -75.62 -69.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 62.4 110.312 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.526 ' HB3' HG22 ' A' ' 150' ' ' THR . 21.0 mmt-85 -56.32 -42.06 77.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 73.44 110.256 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 456' ' ' LYS . 0.0 OUTLIER -60.27 -19.42 54.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 75.43 109.263 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 457' ' ' ALA . . . . . 0.498 ' HB2' ' OE1' ' A' ' 11' ' ' GLU . . . -92.5 -17.65 24.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 52.03 109.283 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -52.14 65.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 43.32 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.492 ' O ' HD13 ' A' ' 463' ' ' LEU . 3.6 ptp180 -73.51 -25.71 60.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 74.14 110.293 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.676 ' HA ' HD22 ' A' ' 463' ' ' LEU . 11.7 t30 -58.07 -31.26 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 71.31 109.311 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.905 ' HG2' HD21 ' A' ' 18' ' ' LEU . 4.8 ttmt -59.98 -25.35 65.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 72.45 109.253 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.719 HG23 ' HE1' ' A' ' 92' ' ' PHE . 39.2 mt -88.05 -34.25 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 60.33 109.301 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.676 HD22 ' HA ' ' A' ' 460' ' ' ASN . 3.3 mp -48.73 -45.09 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 50.43 109.31 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.86 ' O ' HG22 ' A' ' 468' ' ' VAL . . . -72.05 -53.36 13.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 65.33 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.048 HG23 HD13 ' A' ' 39' ' ' LEU . 24.9 mt -48.21 -24.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 71.44 109.338 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -84.25 -71.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.11 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 470' ' ' ARG . 5.7 mttp -44.05 -65.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.43 109.34 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.86 HG22 ' O ' ' A' ' 464' ' ' ALA . 7.9 m -38.43 -31.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.32 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -74.31 -53.6 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 54.11 110.017 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 467' ' ' LYS . 1.0 OUTLIER -55.42 -42.17 73.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.13 110.273 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.903 ' SD ' HD21 ' A' ' 71' ' ' LEU . 27.8 mtp -42.97 -49.1 6.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 70.33 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.703 ' HA ' HD12 ' A' ' 51' ' ' LEU . 7.0 t80 -50.54 -36.95 36.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 73.53 111.059 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -75.44 -26.54 58.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 51.52 110.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.443 HG22 HH11 ' A' ' 470' ' ' ARG . 47.3 t -74.68 -51.61 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 64.1 109.315 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.858 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.02 -38.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 52.04 109.272 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 72.41 110.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.983 -0.847 . . . . 71.21 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.29 56.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 55.25 110.02 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.471 ' OG ' ' CB ' ' A' ' 73' ' ' SER . 4.2 t -120.2 142.25 49.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 73.41 110.013 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -126.98 70.74 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 71.41 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.778 HD13 ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -114.48 173.0 6.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 72.32 109.288 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 p -116.54 167.93 10.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 73.31 110.441 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -52.23 -35.29 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 71.12 110.338 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -70.9 -25.6 62.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -78.34 -36.96 45.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.12 110.253 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.167 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.6 mm -63.38 -21.27 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 73.22 109.302 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.68 -17.55 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 74.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HG3' ' HZ1' ' A' ' 456' ' ' LYS . 23.8 mm-40 -80.03 -66.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 61.01 110.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.778 ' CE1' HD13 ' A' ' 4' ' ' LEU . 77.6 m-85 -42.68 -26.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 53.41 110.99 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 12.1 mttt -51.55 -47.56 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.4 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.459 ' HB3' ' CE ' ' A' ' 461' ' ' LYS . 6.6 mm-40 -55.14 -46.4 75.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 74.12 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -66.24 -15.33 63.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 71.14 109.26 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.47 ' CZ ' ' C ' ' A' ' 64' ' ' GLU . 1.4 t80 -85.22 -36.85 20.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 75.42 110.969 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -14.27 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 54.43 109.326 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.807 HD21 ' HG3' ' A' ' 461' ' ' LYS . 38.7 mt -56.74 -40.07 75.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 63.14 109.278 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CD1' HD13 ' A' ' 27' ' ' ILE . 2.4 m-85 -108.83 -45.8 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 74.2 111.031 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.0 92.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 73.15 109.247 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.753 ' HE3' HG21 ' A' ' 34' ' ' THR . 4.8 mmtp -69.73 -67.43 0.49 Allowed 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 123.633 1.682 . . . . 74.12 109.309 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.7 p30 -74.12 -20.4 60.26 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.876 -1.059 . . . . 74.01 109.967 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 m120 69.56 60.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 75.25 109.278 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 23.7 p30 -98.21 -23.13 15.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 61.02 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 105.42 40.87 1.99 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 52.31 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.95 115.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 74.2 109.983 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.639 HD13 ' CD1' ' A' ' 19' ' ' PHE . 95.9 mt -102.29 93.39 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 75.14 109.358 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.452 ' OG ' ' NE2' ' A' ' 61' ' ' HIS . 33.5 t -67.71 -170.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 54.01 109.999 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.446 ' N ' ' OG ' ' A' ' 28' ' ' SER . 30.5 t -74.7 -23.6 58.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 70.04 110.019 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.55 -27.28 58.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 70.3 109.957 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 34' ' ' THR . 83.1 mt-10 -90.86 -37.32 13.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 74.03 110.263 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.877 HD22 HG13 ' A' ' 48' ' ' VAL . 1.3 tt -68.03 -56.94 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 72.14 109.307 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.64 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -64.05 -12.71 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 71.41 109.27 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.753 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -74.65 -35.73 62.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 62.24 110.381 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.56 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.3 t -78.94 -63.84 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.32 109.292 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.654 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 88.7 mtp -38.08 -51.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 73.43 110.979 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -62.12 -40.85 97.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 70.04 110.316 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' VAL . 21.1 p -58.57 -16.37 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 72.54 110.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.996 HD13 HG23 ' A' ' 465' ' ' ILE . 19.2 mt -93.6 -20.33 20.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 72.41 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.33 1.15 8.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 73.23 111.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.638 HD13 ' HE2' ' A' ' 36' ' ' MET . 17.8 mt -77.98 177.73 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 52.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -158.64 59.59 1.54 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 72.41 109.965 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.05 137.93 22.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.821 . . . . 72.52 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -76.48 140.07 41.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 72.31 110.027 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -55.0 -26.6 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 75.12 110.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.88 74.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.43 109.289 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.761 ' HB3' HD21 ' A' ' 475' ' ' LEU . 2.6 mm-40 -74.37 -51.65 14.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 51.14 110.287 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.877 HG13 HD22 ' A' ' 32' ' ' LEU . 45.6 t -39.62 -30.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 63.53 109.245 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.54 ' OD1' ' CE1' ' A' ' 61' ' ' HIS . 72.4 m-20 -74.76 -66.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 73.33 109.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.88 -23.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 70.1 109.311 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.982 ' HB2' HD22 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -75.52 -68.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 73.14 109.272 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.578 ' HE1' ' O ' ' A' ' 61' ' ' HIS . 7.5 ptm -61.4 -12.56 14.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 74.32 110.999 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 1.1 m-80 -78.14 -7.91 57.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 65.1 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' C ' HD13 ' A' ' 55' ' ' ILE . 11.0 mm-40 -99.32 -11.34 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 70.1 110.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.617 HD12 HD13 ' A' ' 71' ' ' LEU . 1.2 mm -108.57 -53.44 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 53.1 109.335 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 6.5 t0 -37.9 122.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 72.03 109.283 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.3 t -81.67 -34.26 12.78 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-O 123.674 1.702 . . . . 74.15 109.335 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 51.9 p30 -97.84 -6.74 31.88 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 117.909 -1.043 . . . . 74.21 109.993 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.48 41.93 93.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 44.45 111.005 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 34.3 p-10 -92.59 13.48 19.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 73.03 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.637 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 43.7 t60 65.85 29.78 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 75.34 109.581 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 47.4 mt-30 -152.24 158.73 43.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 73.42 110.349 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.496 HG22 ' HB2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -108.21 124.0 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 72.44 109.323 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.47 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 7.2 mt-10 -90.0 -178.75 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 42.13 110.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 1.167 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 9.0 t80 -79.21 -10.97 59.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 72.11 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.508 ' C ' HD12 ' A' ' 69' ' ' LEU . 16.7 p -97.14 -27.73 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 63.14 110.007 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -86.55 -53.78 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 62.24 110.324 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.496 ' HB2' HG22 ' A' ' 63' ' ' ILE . 83.9 t80 -55.34 -43.59 75.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 72.13 110.97 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.072 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.71 -24.58 63.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 71.1 109.356 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.072 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -86.44 -15.45 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 64.12 109.331 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.623 HD21 ' SD ' ' A' ' 471' ' ' MET . 54.5 tp -74.36 -53.85 8.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 74.12 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -47.9 -45.0 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 75.01 110.991 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.471 ' CB ' ' OG ' ' A' ' 2' ' ' SER . 3.6 p -72.89 -22.57 60.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 75.31 110.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -111.41 29.44 7.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 72.44 110.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.476 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 11.5 mm100 -117.66 -10.04 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.13 110.27 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.76 HD12 ' C ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -118.96 153.53 34.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 64.24 109.321 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -142.63 -61.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 73.4 109.301 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.3 m -146.44 -79.31 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 74.2 109.994 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -84.65 -2.11 57.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 73.4 109.278 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.502 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 0.9 OUTLIER -43.09 -54.11 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 71.33 109.285 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' ASP . 11.6 t -37.95 -62.68 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 65.31 110.021 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -45.37 -42.49 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 73.42 110.326 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.0 OUTLIER -57.48 -60.55 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 64.41 110.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.695 ' HB2' ' HB1' ' A' ' 466' ' ' ALA . 8.3 pt-20 -63.91 -19.62 65.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 72.2 110.279 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.079 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -72.25 -64.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 72.51 109.3 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 pp -53.89 -35.38 61.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.0 mm-40 -67.09 -58.74 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 74.45 110.334 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -64.87 -17.66 64.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 70.23 109.291 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 30.2 t80 -77.11 -57.68 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 72.25 110.986 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -18.96 61.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 71.41 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 87' ' ' GLU . 5.0 t -73.93 -49.37 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 40.33 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.981 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.5 m-85 -67.76 -38.63 83.71 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.656 1.693 . . . . 73.41 110.965 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.468 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.4 OUTLIER -72.67 101.53 3.08 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.872 -1.061 . . . . 75.43 109.941 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -35.8 23.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 62.0 109.286 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.6 OUTLIER -74.63 -46.69 36.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 71.14 109.266 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.92 77.22 1.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 20.1 111.016 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.502 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -133.03 5.61 3.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 63.43 109.273 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.915 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 81.41 14.06 79.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 73.33 110.977 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.915 HD23 ' O ' ' A' ' 98' ' ' GLY . 0.5 OUTLIER -151.0 116.12 5.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 73.14 109.311 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.584 HD13 ' CB ' ' A' ' 92' ' ' PHE . 66.5 mt -76.18 99.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 73.12 109.332 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.1 t -64.12 174.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 31.43 110.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.929 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -47.46 -70.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 71.32 109.265 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.21 -67.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 65.31 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 31.7 mt-10 -37.93 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 73.1 110.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.693 HD23 HD11 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -89.14 -72.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 74.41 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.598 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -47.76 -59.22 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.42 109.309 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.718 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -41.26 -40.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 72.32 109.597 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.981 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.7 t -71.26 -42.81 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 62.21 109.312 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.627 HD23 HD13 ' A' ' 105' ' ' LEU . 1.6 mm? -59.78 -34.48 73.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 63.23 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.7 m -84.85 -14.98 46.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 64.52 110.4 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.27 -0.06 39.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.44 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.941 HG21 HD11 ' A' ' 465' ' ' ILE . 12.5 pt -111.94 -33.56 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 70.32 109.325 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.58 -39.82 1.01 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 60.22 111.029 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.474 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -53.83 171.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 71.3 110.322 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 2.7 mtmp? -148.85 114.31 5.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 73.34 109.274 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.821 HD22 ' HB3' ' A' ' 120' ' ' GLU . 12.9 mt -123.03 133.23 54.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 61.42 109.293 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 120' ' ' GLU . 26.9 p -65.11 145.34 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 75.02 110.395 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -45.46 -27.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 63.41 109.33 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 117' ' ' THR . . . -81.3 -42.85 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 61.33 109.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.821 ' HB3' HD22 ' A' ' 116' ' ' LEU . 5.9 mm-40 -57.38 -43.81 83.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 63.54 110.308 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.598 HG21 ' HG2' ' A' ' 106' ' ' LYS . 10.1 p -72.27 -54.36 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 75.02 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.563 ' N ' HG13 ' A' ' 121' ' ' VAL . 30.8 t70 -47.18 -24.71 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 72.41 109.271 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.414 ' N ' ' C ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -91.48 -36.13 13.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.54 109.3 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.736 ' HE1' HD11 ' A' ' 458' ' ' LEU . 25.6 ttm -58.38 -34.45 70.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 64.03 111.017 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.929 HD11 ' HA ' ' A' ' 102' ' ' ALA . 3.5 mt -70.31 -59.21 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 61.24 109.276 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -39.51 -29.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 71.22 110.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 125' ' ' LEU . 4.0 mm-40 -42.85 -46.31 5.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 62.43 110.276 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.705 HG12 ' NZ ' ' A' ' 146' ' ' LYS . 25.7 m -123.82 -0.69 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 33.52 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.503 ' HA ' ' NE2' ' A' ' 139' ' ' GLN . 0.0 OUTLIER -83.22 -8.42 59.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 72.32 110.015 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.2 t70 60.31 28.5 18.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 74.33 109.271 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 91.28 -8.44 79.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.563 1.165 . . . . 74.42 111.014 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.447 ' N ' ' OG ' ' A' ' 129' ' ' SER . 28.1 t -52.34 -87.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.761 . . . . 73.04 110.013 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.538 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 156.46 -22.19 0.49 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 63.03 111.023 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.414 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 12.5 mt-10 -124.11 172.47 8.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 64.23 110.327 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.693 HD11 HD23 ' A' ' 105' ' ' LEU . 7.0 pt -139.1 125.23 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 74.43 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.524 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -90.6 -176.98 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 64.2 109.253 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.587 HD12 HD12 ' A' ' 85' ' ' LEU . 2.7 tp -54.9 -18.36 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 75.43 109.268 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.57 ' OE1' HG23 ' A' ' 137' ' ' ILE . 4.5 mm100 -90.08 -56.44 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 71.44 110.253 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.682 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 25.6 mt-30 -62.67 -54.88 32.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.15 110.353 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.433 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 23.3 t80 -44.21 -47.34 9.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 75.32 110.984 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 1.079 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -62.54 -31.46 72.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.24 109.283 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -51.2 -33.52 27.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 73.22 109.279 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.413 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.9 mt -63.43 -59.09 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.22 109.302 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.697 ' N ' HD23 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -58.05 -17.26 16.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 70.33 109.325 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.1 m -115.64 40.99 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 62.25 109.994 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.705 ' NZ ' HG12 ' A' ' 128' ' ' VAL . 3.1 tptm -120.95 82.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 74.11 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -128.2 60.06 0.67 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.471 1.107 . . . . 71.34 111.025 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.2 t -122.25 -41.57 2.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 0.741 . . . . 74.21 109.969 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 72.8 m -130.66 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 61.44 109.996 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.548 HG22 ' HB2' ' A' ' 455' ' ' ARG . 69.1 p -109.25 -74.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.162 . . . . 64.23 110.413 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 150' ' ' THR . . . 83.41 40.48 9.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.556 1.16 . . . . 41.14 111.001 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 453' ' ' THR . 2.1 m 63.71 39.33 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 54.55 110.383 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -137.08 -45.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 75.24 110.285 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.548 ' HB2' HG22 ' A' ' 150' ' ' THR . 65.2 mmt-85 -82.19 -41.32 20.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 74.45 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.423 ' HZ1' ' HG3' ' A' ' 11' ' ' GLU . 13.6 ptmt -54.39 -22.29 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 75.15 109.296 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -90.93 -23.88 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 33.31 109.297 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.736 HD11 ' HE1' ' A' ' 124' ' ' MET . 0.5 OUTLIER -73.19 -55.28 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 71.05 109.346 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.677 ' O ' HD13 ' A' ' 463' ' ' LEU . 3.0 ptp180 -62.24 -33.23 74.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 74.13 110.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -57.36 -37.18 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 35.24 109.343 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.807 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.69 -29.3 52.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 74.43 109.247 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.849 HG23 ' CE1' ' A' ' 92' ' ' PHE . 14.7 mt -89.52 -31.11 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 75.33 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 459' ' ' ARG . 9.7 mp -50.27 -60.97 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.13 109.322 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.882 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -50.32 -55.67 14.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 72.01 109.341 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.996 HG23 HD13 ' A' ' 39' ' ' LEU . 28.7 mt -49.58 -23.0 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.13 109.333 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.695 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -86.7 -62.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 71.15 109.33 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.502 ' HZ3' ' HG ' ' A' ' 463' ' ' LEU . 0.2 OUTLIER -57.51 -67.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 63.04 109.321 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.543 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 82.9 t -38.96 -34.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 63.22 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -60.5 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.23 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -26.72 38.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.42 110.303 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.623 ' SD ' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -58.06 -25.2 60.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 64.42 111.029 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.654 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 38.1 t80 -88.84 -21.35 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 74.15 111.01 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 31.2 m -95.48 -1.94 49.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.33 109.978 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 471' ' ' MET . 12.0 p -107.65 -46.58 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 54.14 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.982 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.09 -35.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 40.43 109.359 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 70.03 110.345 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.021 -0.832 . . . . 61.53 111.021 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.3 p -90.77 84.97 5.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.77 . . . . 75.32 109.978 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -122.45 149.21 44.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.54 109.971 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -138.06 67.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 73.21 109.29 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 12' ' ' PHE . 3.0 mt -117.79 179.68 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 72.24 109.319 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.7 p -124.66 164.45 19.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 71.41 110.449 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.05 -25.52 21.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 64.54 110.256 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -78.3 -27.18 47.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 73.13 110.321 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -77.27 -35.53 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 64.43 110.271 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.148 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.9 mm -63.42 -20.72 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 75.33 109.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.91 -12.74 60.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 61.43 109.289 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 22.1 mt-10 -85.08 -68.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 74.24 110.28 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 4' ' ' LEU . 71.9 m-85 -41.54 -27.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 75.1 110.974 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 3.8 mtmt -48.58 -47.93 39.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 72.4 109.297 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.448 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 20.2 mm-40 -55.55 -34.7 64.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 71.04 110.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.778 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -74.56 -19.01 60.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 51.3 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.6 t80 -81.44 -41.64 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 63.01 110.965 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -24.51 62.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 64.23 109.272 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.896 HD21 ' HG2' ' A' ' 461' ' ' LYS . 63.5 mt -45.95 -42.67 13.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 72.51 109.279 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.63 ' HZ ' HG21 ' A' ' 468' ' ' VAL . 2.1 m-85 -109.19 -47.14 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 73.02 111.017 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -54.79 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 73.23 109.301 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.671 ' HE3' HG21 ' A' ' 34' ' ' THR . 8.0 mmtp -65.65 -67.21 0.46 Allowed 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 123.63 1.681 . . . . 70.52 109.313 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -75.14 -10.89 59.89 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.904 -1.046 . . . . 61.13 109.968 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 56.75 56.9 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 72.44 109.306 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 10.7 p30 -89.83 -21.24 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 70.31 109.284 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 106.96 34.3 3.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 52.32 111.024 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.73 112.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 74.4 109.99 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.616 HD13 ' CD1' ' A' ' 19' ' ' PHE . 96.2 mt -92.01 101.77 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 70.34 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.436 ' C ' ' HE1' ' A' ' 52' ' ' MET . 2.3 p -67.05 177.65 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 71.23 110.028 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.495 ' N ' ' HE1' ' A' ' 52' ' ' MET . 13.0 t -68.12 -35.36 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 71.13 110.015 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -22.25 61.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 71.44 109.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 34' ' ' THR . 57.7 mt-10 -90.6 -35.29 15.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 61.12 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.985 HD22 HG13 ' A' ' 48' ' ' VAL . 1.7 tt -72.55 -49.13 34.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 71.4 109.349 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.507 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -70.72 -12.49 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.05 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.671 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -69.74 -25.11 63.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 62.13 110.381 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.549 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -91.48 -60.59 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 71.31 109.25 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.548 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 91.8 mtp -38.22 -54.26 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 73.41 111.02 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 38' ' ' SER . 9.7 ptm180 -58.19 -40.58 81.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.24 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' VAL . 6.5 p -59.11 -27.63 65.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 75.13 109.969 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.111 HD13 HG23 ' A' ' 465' ' ' ILE . 9.8 mt -79.42 -17.82 53.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 71.05 109.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.32 11.57 8.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 33.51 111.016 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.487 HD13 ' HE2' ' A' ' 36' ' ' MET . 16.7 mt -89.4 -176.96 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 64.31 109.291 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.453 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 44.4 t -164.32 61.5 0.9 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 64.44 109.985 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 146.79 33.23 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.78 . . . . 44.32 111.015 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 m -87.6 140.42 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 64.12 109.978 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 51.5 tt0 -48.45 -27.93 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 73.14 110.293 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.14 -49.23 76.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 64.43 109.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.5 mt-10 -75.85 -51.21 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 71.32 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.985 HG13 HD22 ' A' ' 32' ' ' LEU . 55.6 t -40.81 -37.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 61.31 109.257 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 93.0 m-20 -63.94 -63.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 73.4 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -14.26 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 73.42 109.264 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.756 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.5 tm? -78.66 -53.79 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 72.34 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.556 ' HB3' HD13 ' A' ' 32' ' ' LEU . 7.0 ptm -80.29 -14.39 58.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 72.35 110.974 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -86.6 -8.06 57.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 72.43 109.31 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.576 ' C ' HD13 ' A' ' 55' ' ' ILE . 5.2 mm-40 -84.75 -12.95 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 71.45 110.27 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.628 HG21 ' HB2' ' A' ' 71' ' ' LEU . 2.4 mm -117.57 -39.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 53.44 109.343 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.4 t0 -37.85 121.32 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 44.42 109.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -81.8 -24.72 9.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 CA-C-O 123.625 1.679 . . . . 75.12 109.298 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.6 p30 -109.06 -6.38 15.66 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.902 -1.047 . . . . 74.24 109.99 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 55.9 42.52 86.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 71.45 111.041 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.1 p-10 -92.81 13.65 19.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 74.45 109.267 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.652 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 10.6 t-80 65.8 31.67 9.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 72.44 109.61 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.452 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 48.1 mt-30 -154.64 158.54 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 73.42 110.247 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.507 HG22 ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -110.68 125.16 67.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 71.42 109.297 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -90.53 -175.9 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 62.15 110.325 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 1.148 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 7.1 t80 -82.52 -10.66 58.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 52.02 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 3.2 m -96.65 -29.36 13.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 42.55 109.991 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -86.0 -53.19 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 74.14 110.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' HB2' HG22 ' A' ' 63' ' ' ILE . 87.7 t80 -55.59 -44.6 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 72.14 111.025 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.088 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.08 -24.03 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.42 109.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.088 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -84.55 -15.38 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 65.14 109.293 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.715 HD21 ' SD ' ' A' ' 471' ' ' MET . 48.6 tp -72.97 -50.41 23.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 73.11 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -61.25 -12.92 15.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 71.23 110.963 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 p -115.23 1.2 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.52 110.039 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.01 -14.7 11.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.15 110.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -78.64 -30.19 46.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 71.24 110.276 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.768 ' N ' HD23 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -66.39 84.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 70.51 109.283 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -84.36 -66.61 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.54 109.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -137.42 -60.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 63.13 110.009 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.77 54.43 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 73.44 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' GLN . 2.6 t70 -87.48 -49.09 7.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 74.32 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 t -44.15 -40.69 5.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 74.42 110.036 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.1 -34.56 66.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 71.33 110.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.632 ' NE2' HD21 ' A' ' 86' ' ' LEU . 8.2 tp-100 -64.52 -49.16 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 64.3 110.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 2.7 pt-20 -57.06 -24.87 57.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 71.34 110.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.834 ' HB3' HD11 ' A' ' 137' ' ' ILE . 8.3 mt -72.03 -67.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 61.52 109.294 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.632 HD21 ' NE2' ' A' ' 83' ' ' GLN . 3.0 pp -52.01 -36.86 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 60.03 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.632 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.1 mm-40 -65.62 -58.09 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 71.12 110.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.928 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -65.58 -18.54 65.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 75.31 109.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' HA ' HD11 ' A' ' 100' ' ' ILE . 11.7 t80 -76.06 -63.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 74.55 111.019 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -63.43 -34.84 78.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 71.42 109.316 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 87' ' ' GLU . 12.3 t -57.98 -53.77 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 74.4 109.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.977 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.1 m-85 -64.69 -39.72 94.15 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 123.597 1.665 . . . . 75.05 110.97 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.09 98.03 2.03 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.925 -1.036 . . . . 72.35 109.995 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.667 ' HE2' ' HE1' ' A' ' 107' ' ' HIS . 3.5 mmtt -84.06 -32.88 24.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 72.13 109.288 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.442 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -76.31 -43.6 40.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 73.1 109.323 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.42 79.71 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 72.01 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.638 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -141.19 12.31 2.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 72.42 109.267 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.858 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 68.65 19.5 73.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 71.23 111.009 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.858 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.6 mt -150.01 111.02 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 73.41 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.558 HD13 ' CB ' ' A' ' 92' ' ' PHE . 63.6 mt -78.31 105.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 70.23 109.326 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.8 t -73.94 176.3 6.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 41.34 109.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.695 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -45.44 -71.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 62.45 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -40.61 -66.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 70.42 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' CB ' HG23 ' A' ' 100' ' ' ILE . 40.5 mt-10 -38.41 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 70.52 110.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.886 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -94.34 -73.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 63.33 109.311 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.531 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -45.78 -56.32 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 72.42 109.312 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.816 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.9 -38.86 11.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 73.42 109.601 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.977 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.7 t -70.65 -55.22 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 73.25 109.241 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 458' ' ' LEU . 2.7 mt -51.58 -29.94 19.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 74.14 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.3 m -80.69 -25.98 37.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 41.43 110.385 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -67.19 -11.19 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 74.33 110.024 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.031 HG21 HD11 ' A' ' 465' ' ' ILE . 12.6 pt -112.23 -32.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 71.23 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.31 -36.94 0.86 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 25.22 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 109' ' ' LEU . 36.6 mm-40 -56.11 114.45 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 0.744 . . . . 72.52 110.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -105.05 103.37 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 72.32 109.326 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -110.58 121.9 46.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 73.1 109.282 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.428 ' N ' ' HB2' ' A' ' 120' ' ' GLU . 25.8 p -63.72 160.36 17.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 62.11 110.42 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -24.73 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 75.23 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.59 -19.92 24.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 70.51 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.657 ' HB3' HD13 ' A' ' 116' ' ' LEU . 5.2 mm-40 -81.03 -57.73 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 71.52 110.335 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.695 ' CG1' ' HB1' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -61.28 -50.41 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 63.44 109.328 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.762 ' HA ' HD12 ' A' ' 125' ' ' LEU . 4.5 t0 -51.5 -23.75 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 74.12 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.73 -37.04 13.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 74.1 109.283 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.425 ' O ' ' CG ' ' A' ' 127' ' ' GLU . 0.5 OUTLIER -63.96 -34.46 78.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 75.21 110.976 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 122' ' ' ASP . 4.2 mt -62.1 -53.59 53.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 52.43 109.274 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 125' ' ' LEU . 45.2 mtt180 -36.96 -31.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 61.41 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 7.7 mm-40 -46.53 -50.66 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 72.1 110.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.475 ' CG2' ' CD1' ' A' ' 143' ' ' LEU . 20.9 m -131.85 14.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 41.03 109.268 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.2 p -101.07 10.87 40.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 62.21 109.994 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' SER . 66.0 t0 38.29 47.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.03 109.326 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 52.28 47.45 55.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 73.3 111.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' SER . 43.0 t -107.27 -77.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 74.4 109.967 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 152.33 -19.29 0.82 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.149 . . . . 71.33 111.006 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.421 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 22.4 mt-10 -127.46 174.34 9.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 71.34 110.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.886 HD11 ' CD1' ' A' ' 105' ' ' LEU . 6.3 pt -146.97 127.69 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 75.31 109.342 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.494 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -96.95 170.54 9.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 61.24 109.256 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.834 HD11 ' HB3' ' A' ' 85' ' ' LEU . 6.7 tp -39.36 -30.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 71.05 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 136' ' ' ASN . 3.3 mm-40 -75.68 -59.58 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 72.45 110.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.716 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 40.4 mt-30 -66.76 -57.18 7.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.41 110.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.468 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 64.2 t80 -41.54 -50.96 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 74.43 111.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 145' ' ' SER . . . -63.1 -34.42 77.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 53.24 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -44.95 -27.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 63.14 109.359 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.475 ' CD1' ' CG2' ' A' ' 128' ' ' VAL . 1.1 mt -82.92 -42.63 17.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 73.44 109.304 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.481 HD12 HD23 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -87.36 11.98 13.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 63.42 109.284 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 141' ' ' ALA . 45.9 t -120.52 -38.08 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 54.32 109.993 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -155.47 -78.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 61.22 109.284 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.422 ' N ' ' HD2' ' A' ' 146' ' ' LYS . . . 99.59 131.46 7.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 71.2 111.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 147' ' ' GLY . 47.4 t -37.2 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 61.21 110.026 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.464 ' C ' ' CG2' ' A' ' 150' ' ' THR . 6.9 m -115.52 107.68 15.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 62.34 109.992 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.464 ' CG2' ' C ' ' A' ' 149' ' ' SER . 12.7 p -151.48 137.67 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 64.51 110.396 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -141.88 -77.53 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 72.34 110.983 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 2.3 m -132.65 7.5 4.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 53.21 110.433 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -114.62 -48.52 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 72.54 110.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -85.9 -24.14 26.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 73.21 110.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.542 ' HB2' HH21 ' A' ' 459' ' ' ARG . 0.0 OUTLIER -59.85 -27.97 67.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 74.03 109.332 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 457' ' ' ALA . . . . . 0.448 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -85.33 -16.15 40.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 45.11 109.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -67.86 -50.66 55.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 73.41 109.28 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' A' ' 456' ' ' LYS . 1.7 ptp180 -60.45 -41.57 94.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 74.51 110.315 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.591 ' HA ' HD12 ' A' ' 463' ' ' LEU . 6.9 t30 -56.91 -38.88 73.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 72.11 109.334 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.896 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -60.33 -25.67 65.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.13 109.308 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.836 HG23 ' CE1' ' A' ' 92' ' ' PHE . 23.7 mt -88.59 -33.49 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 61.12 109.262 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 460' ' ' ASN . 96.3 mt -49.96 -62.08 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 61.21 109.263 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.778 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -48.96 -58.31 5.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 73.3 109.334 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.111 HG23 HD13 ' A' ' 39' ' ' LEU . 19.5 mt -40.42 -32.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 71.54 109.255 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.928 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.67 -72.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 74.21 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.459 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 8.3 mtpp -40.87 -67.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.3 109.29 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.63 HG21 ' HZ ' ' A' ' 19' ' ' PHE . 90.7 t -38.7 -35.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 73.23 109.291 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 466' ' ' ALA . 3.0 t -73.83 -51.51 16.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 71.32 110.029 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -52.86 -41.59 64.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 74.31 110.297 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.715 ' SD ' HD21 ' A' ' 71' ' ' LEU . 10.4 mtm -51.44 -24.29 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 73.35 110.975 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.548 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 28.7 t80 -88.9 -25.06 22.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 75.31 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.93 -6.31 51.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 64.4 110.044 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 471' ' ' MET . 8.9 p -102.99 -48.96 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 70.32 109.282 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.459 ' N ' HG13 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -39.59 -36.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 75.34 109.307 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 75.14 110.271 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.993 -0.843 . . . . 64.05 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.6 m -140.64 158.51 43.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 71.04 109.997 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -128.92 157.28 42.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 55.04 110.012 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.94 61.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 75.33 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.727 HD13 ' CE2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -118.91 153.14 35.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 52.23 109.327 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.481 HG23 ' OE1' ' A' ' 8' ' ' GLN . 4.6 p -78.1 163.4 25.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 74.31 110.432 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -56.63 -20.8 23.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 65.33 110.329 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -77.04 -26.08 53.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 73.34 110.277 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.481 ' OE1' HG23 ' A' ' 5' ' ' THR . 2.3 mt-30 -84.08 -38.06 21.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 74.05 110.274 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.066 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 2.0 mm -59.64 -31.74 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 73.35 109.282 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.08 -16.53 63.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 74.41 109.278 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 65.2 mt-10 -74.94 -71.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 55.4 110.269 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.727 ' CE2' HD13 ' A' ' 4' ' ' LEU . 47.9 m-85 -43.95 -26.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 63.14 111.012 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 19.5 mttt -49.07 -46.19 44.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 73.44 109.284 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -60.84 -49.78 76.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 71.33 110.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.743 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -59.63 -18.29 40.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 64.21 109.294 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CZ ' ' C ' ' A' ' 64' ' ' GLU . 1.7 t80 -81.97 -41.6 20.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 74.41 111.014 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -21.23 59.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 70.02 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.742 HD21 ' HG3' ' A' ' 461' ' ' LYS . 64.8 mt -49.95 -41.18 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 72.11 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.643 ' HZ ' HG21 ' A' ' 468' ' ' VAL . 3.3 m-85 -110.36 -49.98 3.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.34 110.932 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -54.54 90.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 61.44 109.298 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.504 ' HE3' HG21 ' A' ' 34' ' ' THR . 58.6 mmtt -69.45 -66.92 0.52 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 123.595 1.664 . . . . 61.4 109.283 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.2 p30 -74.76 -17.01 60.7 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.884 -1.055 . . . . 63.1 110.016 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 63.06 65.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.15 109.288 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 35.1 p30 -99.44 -7.92 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 74.5 109.271 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.8 33.03 8.09 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 50.32 110.97 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.72 110.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 63.11 109.998 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' A' ' 19' ' ' PHE . 94.5 mt -91.21 102.37 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 52.31 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.22 159.01 35.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 73.3 110.029 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.5 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 6.4 t -54.81 -18.87 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 73.54 110.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -29.81 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 73.05 110.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 34' ' ' THR . 31.3 mt-10 -90.13 -28.01 19.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 73.14 110.273 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.965 HD22 HG13 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -74.24 -51.91 13.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 72.23 109.306 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.648 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -67.68 -12.36 60.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 74.04 109.294 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.504 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -69.55 -30.46 68.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 63.32 110.419 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.512 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.1 t -83.63 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 72.23 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.542 ' SD ' HD13 ' A' ' 41' ' ' LEU . 49.6 mmm -38.22 -53.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 61.13 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 38' ' ' SER . 8.9 ptm180 -59.18 -43.56 92.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 75.21 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.434 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.8 m -55.7 -35.03 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 72.15 110.003 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.051 HD13 HG23 ' A' ' 465' ' ' ILE . 21.1 mt -72.0 -22.59 61.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 75.52 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.85 2.88 8.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 63.31 110.95 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.542 HD13 ' SD ' ' A' ' 36' ' ' MET . 24.8 mt -79.09 -172.13 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 71.04 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 93.1 p -164.26 61.82 0.94 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 53.41 109.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.1 Cg_endo -75.05 152.92 41.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 43.43 110.957 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -102.96 140.42 37.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 61.0 109.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 22.1 tt0 -48.22 -28.21 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 75.45 110.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.59 -50.21 74.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 35.41 109.308 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.878 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.5 mt-10 -77.36 -51.83 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 72.43 110.286 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.965 HG13 HD22 ' A' ' 32' ' ' LEU . 53.1 t -40.47 -31.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 74.4 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 79.7 m-20 -65.64 -65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 70.43 109.288 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.0 -17.84 11.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 73.24 109.253 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 471' ' ' MET . 0.7 OUTLIER -76.56 -56.19 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.02 109.309 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 61' ' ' HIS . 0.9 OUTLIER -74.78 -16.68 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.11 111.025 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -84.86 -7.96 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 72.33 109.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.6 mm-40 -84.23 -13.94 51.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 53.3 110.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.835 HG13 HD22 ' A' ' 71' ' ' LEU . 2.1 mm -117.78 -39.68 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 65.45 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 4.8 t0 -37.57 119.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 73.43 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.515 HG23 ' HG2' ' A' ' 67' ' ' GLU . 72.0 t -94.12 -7.74 10.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-O 123.599 1.666 . . . . 61.51 109.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 49.5 p-10 -121.97 -10.79 8.59 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 117.935 -1.031 . . . . 75.11 110.002 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 62.73 36.63 93.57 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 71.12 111.001 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 32.3 p-10 -92.8 27.34 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 44.51 109.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.601 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 17.6 t-80 45.58 40.87 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 72.42 109.616 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 40.4 mt-30 -160.54 164.37 32.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 54.43 110.291 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.86 125.03 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 65.45 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.478 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -88.9 172.57 9.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 72.25 110.295 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 1.066 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.0 t80 -72.6 -12.34 61.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 71.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 m -93.68 -46.39 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 74.14 109.986 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 57' ' ' VAL . 14.5 mt-10 -65.81 -51.42 59.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 73.32 110.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.415 ' HE2' ' HB3' ' A' ' 15' ' ' ALA . 90.9 t80 -54.75 -42.72 72.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 72.04 110.964 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.769 HD22 HG23 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -70.09 -32.3 70.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 62.43 109.3 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -72.91 -16.74 61.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 74.02 109.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.952 HD21 ' SD ' ' A' ' 471' ' ' MET . 7.2 tp -73.9 -53.66 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 64.14 109.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -56.12 -47.48 78.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 74.51 110.967 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.3 t -71.3 -15.88 62.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 63.15 110.026 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 4.0 ttt-85 -115.26 28.06 8.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 73.53 110.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.843 ' C ' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -126.44 9.3 7.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 75.23 110.312 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.843 HD23 ' C ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -125.72 117.52 23.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 72.15 109.296 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 4.6 mmpt? -120.37 -62.18 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 74.21 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.9 m -143.59 -79.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 43.32 109.997 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.43 45.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 73.54 109.342 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.507 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -84.15 -64.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 74.13 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.55 ' O ' HD23 ' A' ' 85' ' ' LEU . 2.4 t -38.04 -45.82 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 41.02 110.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.8 -50.49 70.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 71.23 110.288 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -54.31 -59.47 4.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 71.13 110.309 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' HB2' ' HB1' ' A' ' 466' ' ' ALA . 2.6 pt-20 -59.61 -22.47 61.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 72.14 110.265 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.061 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.3 OUTLIER -67.52 -66.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 42.13 109.299 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 87' ' ' GLU . 3.7 pp -54.98 -43.36 73.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 72.22 109.299 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.463 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 23.5 mm-40 -59.17 -38.02 78.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 74.33 110.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -90.91 -8.79 48.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 73.05 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 85' ' ' LEU . 18.0 t80 -78.37 -59.82 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 62.13 110.955 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -40.41 97.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.32 109.311 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -54.56 -51.0 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 63.24 109.269 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.941 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.0 m-85 -67.44 -44.98 77.39 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 123.613 1.673 . . . . 75.34 110.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -70.91 98.87 1.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.881 -1.057 . . . . 74.13 109.972 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HE2' ' HE1' ' A' ' 107' ' ' HIS . 5.9 mmtt -84.97 -32.74 22.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 71.44 109.242 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -76.47 -44.23 36.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 52.34 109.317 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.59 78.5 1.18 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 52.14 111.032 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.576 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.37 11.59 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 73.34 109.367 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.858 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.22 18.41 74.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 53.33 110.973 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.858 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -150.55 110.8 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 74.1 109.265 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.586 HD13 ' CB ' ' A' ' 92' ' ' PHE . 67.4 mt -73.1 99.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 75.41 109.287 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.9 p -63.75 168.66 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.12 110.026 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.598 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -42.73 -69.78 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 64.51 109.345 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.45 -66.59 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 75.1 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 92' ' ' PHE . 40.2 mt-10 -38.91 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 74.4 110.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.827 HD12 ' HE2' ' A' ' 92' ' ' PHE . 40.8 tp -91.2 -73.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 64.3 109.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.897 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -46.01 -65.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 73.42 109.323 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.491 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -39.93 -46.32 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 55.33 109.603 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.941 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -60.4 -44.25 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 73.12 109.261 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 106' ' ' LYS . 1.5 mm? -67.37 -26.2 66.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 62.21 109.28 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.0 m -81.63 -27.54 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 65.41 110.375 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.435 ' OG ' ' HA ' ' A' ' 108' ' ' VAL . 0.1 OUTLIER -70.47 -6.71 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 51.54 110.011 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.861 HG21 HD11 ' A' ' 465' ' ' ILE . 14.4 pt -113.38 -32.2 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 72.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.5 -34.91 0.82 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 72.52 111.039 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.706 ' HG3' ' HZ2' ' A' ' 461' ' ' LYS . 3.9 mt-10 -64.82 104.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 63.35 110.29 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -105.87 104.64 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 73.24 109.285 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 120' ' ' GLU . 4.6 mp -112.39 143.66 43.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.34 109.287 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' GLU . 30.3 p -71.42 150.79 44.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 62.42 110.409 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.06 -26.2 6.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 65.51 109.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.3 -32.95 26.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 73.33 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.54 ' HB3' HD23 ' A' ' 116' ' ' LEU . 24.7 mm-40 -67.97 -43.79 78.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 75.33 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.897 HG21 ' HG2' ' A' ' 106' ' ' LYS . 6.4 p -69.08 -50.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 52.35 109.306 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.519 ' HA ' HD12 ' A' ' 125' ' ' LEU . 19.7 t0 -48.35 -23.55 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 73.15 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 121' ' ' VAL . 2.2 t70 -91.08 -34.0 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 55.11 109.311 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.528 ' HE3' HD22 ' A' ' 116' ' ' LEU . 22.0 ttm -66.49 -37.42 85.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 71.12 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 102' ' ' ALA . 8.6 mt -61.45 -56.16 23.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.21 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 125' ' ' LEU . 22.2 mtt-85 -37.61 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 74.51 110.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 124' ' ' MET . 25.5 mm-40 -47.36 -50.12 22.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 62.01 110.346 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.433 HG11 ' CB ' ' A' ' 142' ' ' ALA . 32.5 m -131.58 13.02 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 64.04 109.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.1 p -99.44 6.67 45.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 65.4 109.979 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 129' ' ' SER . 47.9 t0 39.79 41.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 74.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 59.32 46.93 93.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.114 . . . . 51.33 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' SER . 29.6 t -103.72 -75.53 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 71.22 110.009 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.05 -16.38 1.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 72.13 111.045 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -139.71 156.54 46.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 73.31 110.266 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.579 HG22 ' HB3' ' A' ' 139' ' ' GLN . 2.2 pt -122.29 121.7 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 73.43 109.322 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.637 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -81.07 -172.17 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 64.55 109.296 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.48 HD13 ' CG ' ' A' ' 89' ' ' PHE . 10.8 tp -60.82 -25.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 74.34 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.42 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 8.2 mm100 -82.87 -57.47 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 73.42 110.269 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.636 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 63.0 mt-30 -58.38 -53.84 53.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 53.35 110.269 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 136' ' ' ASN . 7.8 t80 -46.25 -42.48 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 63.03 111.048 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 1.061 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -66.25 -30.61 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 73.24 109.339 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -49.6 -33.7 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 75.01 109.286 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.52 -49.67 57.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 74.04 109.342 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.772 ' N ' HD23 ' A' ' 144' ' ' LEU . 1.3 mt -61.23 -15.5 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.34 109.272 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.0 m -124.42 42.47 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 62.02 110.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.652 ' O ' HG21 ' A' ' 150' ' ' THR . 16.6 tptt -119.16 82.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.21 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -122.15 53.1 0.73 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.514 1.134 . . . . 44.1 110.977 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 77.5 p -116.47 -50.58 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 60.42 110.017 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 p -101.59 12.96 36.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 44.31 110.0 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.652 HG21 ' O ' ' A' ' 146' ' ' LYS . 14.5 p -101.39 174.88 5.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 12.4 110.382 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -175.51 -56.87 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.135 . . . . 74.31 111.007 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 5.7 m -155.21 23.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 70.3 110.402 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 19.1 mmm-85 -141.37 -48.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 75.25 110.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.517 ' CB ' HG22 ' A' ' 150' ' ' THR . 41.2 mmt-85 -88.04 -26.19 22.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 72.43 110.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.409 ' N ' ' HB ' ' A' ' 150' ' ' THR . 0.7 OUTLIER -69.65 -22.18 63.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 62.24 109.348 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -89.49 -16.17 31.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 70.53 109.338 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.9 OUTLIER -66.02 -46.33 78.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 71.34 109.325 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -74.99 -31.79 61.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 74.21 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.614 ' HA ' HD12 ' A' ' 463' ' ' LEU . 11.2 t30 -60.37 -41.82 94.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 75.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.742 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -52.72 -29.46 27.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 65.41 109.293 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.628 HG23 ' CE1' ' A' ' 92' ' ' PHE . 9.0 mt -89.46 -30.33 5.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 63.35 109.261 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 460' ' ' ASN . 67.8 mt -50.4 -45.99 55.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 74.02 109.242 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.743 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -69.7 -63.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 54.54 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.051 HG23 HD13 ' A' ' 39' ' ' LEU . 65.4 mt -41.85 -29.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 65.32 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.534 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -79.77 -58.58 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 62.02 109.304 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.757 ' HE2' HD21 ' A' ' 76' ' ' LEU . 1.8 mttp -63.22 -66.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 72.11 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.643 HG21 ' HZ ' ' A' ' 19' ' ' PHE . 96.7 t -39.2 -30.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 53.21 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 467' ' ' LYS . 5.5 t -76.51 -64.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 70.34 110.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.3 OUTLIER -46.08 -50.9 14.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 75.44 110.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.952 ' SD ' HD21 ' A' ' 71' ' ' LEU . 6.6 mtp -38.68 -34.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 74.34 110.966 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.545 ' CD1' HD23 ' A' ' 475' ' ' LEU . 46.7 t80 -78.91 -40.28 32.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 72.31 110.981 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 470' ' ' ARG . 48.4 t -68.6 -8.48 42.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 62.32 109.961 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.46 HG12 ' C ' ' A' ' 471' ' ' MET . 7.1 p -109.79 -42.25 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 61.15 109.316 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.878 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.54 -29.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 63.43 109.336 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 476' ' ' ARG . . . . . 0.426 ' N ' ' C ' ' A' ' 474' ' ' VAL . 3.4 tmt_? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 64.11 110.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 45.03 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 p -95.78 75.87 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 51.15 110.028 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -151.49 148.36 27.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 53.33 110.028 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.14 28.86 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 73.1 109.305 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.776 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 11.0 mt -73.49 168.14 19.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 72.03 109.293 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.3 p -125.14 160.73 28.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 64.34 110.386 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.03 -33.14 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 62.33 110.27 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -70.88 -36.01 72.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 72.53 110.299 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' THR . 11.3 mm100 -72.22 -28.95 63.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 71.44 110.329 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.714 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 3.2 mm -67.06 -20.48 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 72.45 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.06 -12.56 57.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 53.21 109.277 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' OE2' ' CD ' ' A' ' 8' ' ' GLN . 45.3 mt-10 -76.05 -68.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 73.23 110.278 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.776 ' CZ ' HD13 ' A' ' 4' ' ' LEU . 31.0 m-85 -44.02 -25.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 71.43 110.94 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -55.45 -46.47 76.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 74.41 109.353 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.455 ' HB3' ' CD ' ' A' ' 461' ' ' LYS . 6.7 mm-40 -63.52 -46.25 86.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 52.05 110.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.72 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -65.88 -15.33 62.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 75.23 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.0 t80 -80.6 -40.54 25.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 61.21 111.029 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -21.71 62.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 53.1 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.019 HD21 ' HG3' ' A' ' 461' ' ' LYS . 58.4 mt -48.25 -41.46 27.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 42.4 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.873 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 6.5 m-85 -110.38 -40.77 4.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 74.52 111.023 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -63.47 83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 73.41 109.314 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HE3' HG21 ' A' ' 34' ' ' THR . 56.1 mmtt -59.45 -67.15 0.41 Allowed 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 123.583 1.658 . . . . 73.02 109.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 2.7 p30 -77.69 -22.66 50.18 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.917 -1.04 . . . . 72.32 109.978 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER 72.02 64.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 72.4 109.3 -179.757 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -100.68 5.02 43.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 71.3 109.312 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.92 34.26 38.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 51.24 111.044 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.59 112.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 73.13 109.976 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 19' ' ' PHE . 64.9 mt -93.71 99.78 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 63.45 109.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -66.49 -179.31 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 75.41 109.997 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.415 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 5.2 t -69.07 -39.92 78.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 72.24 109.985 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -20.55 66.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 61.34 110.015 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.651 ' O ' HG22 ' A' ' 34' ' ' THR . 41.5 mt-10 -90.59 -45.71 8.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 74.12 110.296 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.029 HD22 HG13 ' A' ' 48' ' ' VAL . 2.3 tt -61.87 -48.21 81.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 63.35 109.242 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -68.8 -11.94 60.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 41.33 109.347 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -70.26 -29.25 65.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 75.24 110.395 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.2 t -91.61 -60.62 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 71.32 109.295 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.593 ' HE1' ' HB2' ' A' ' 472' ' ' PHE . 82.2 mtp -41.35 -47.01 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 44.41 110.975 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' SER . 8.8 ptm180 -63.05 -40.42 97.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 70.15 110.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.425 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 22.1 m -61.21 -33.42 73.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 72.11 110.012 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.607 ' CD1' HG23 ' A' ' 465' ' ' ILE . 25.3 mt -70.7 -22.57 62.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 72.54 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.5 4.59 8.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 71.11 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.556 HD13 ' HE2' ' A' ' 36' ' ' MET . 17.3 mt -83.26 -177.53 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 72.1 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.474 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 6.3 t -163.53 60.57 0.92 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 74.3 109.974 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.541 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.2 Cg_endo -75.01 117.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 61.21 111.031 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 m -58.59 140.02 54.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 45.23 109.981 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 27.3 tt0 -46.52 -27.88 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 75.5 110.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.73 76.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 61.41 109.28 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HB3' HD21 ' A' ' 475' ' ' LEU . 3.0 mt-10 -75.25 -49.72 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 62.21 110.309 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.029 HG13 HD22 ' A' ' 32' ' ' LEU . 55.2 t -40.41 -30.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 72.3 109.264 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' OD1' ' CE1' ' A' ' 61' ' ' HIS . 73.5 m-20 -72.9 -66.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 53.12 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.639 ' HB3' HD13 ' A' ' 475' ' ' LEU . 0.2 OUTLIER -53.11 -18.6 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 61.02 109.302 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.758 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.6 tm? -79.22 -53.62 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 73.12 109.321 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.448 ' HB3' HD13 ' A' ' 32' ' ' LEU . 15.1 ptm -80.28 -6.26 57.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 61.11 110.986 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.4 m120 -92.38 -7.99 46.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 75.42 109.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.722 ' C ' HD13 ' A' ' 55' ' ' ILE . 6.4 mm-40 -89.04 -8.25 54.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 54.24 110.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.722 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.8 mm -117.51 -45.75 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 51.23 109.367 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 3.3 t0 -38.96 120.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 72.55 109.318 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.76 -15.62 12.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-O 123.6 1.667 . . . . 62.13 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 48.2 p-10 -118.76 -7.7 10.46 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.88 -1.057 . . . . 62.0 109.975 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.8 41.43 94.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 73.35 111.022 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.451 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.4 p-10 -89.9 17.65 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 72.52 109.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.644 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 50.5 t60 59.87 30.91 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 72.53 109.583 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 47.6 mt-30 -156.09 149.56 24.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.43 110.268 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -104.28 127.26 58.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 64.32 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -90.66 171.1 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 73.13 110.302 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.714 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 2.4 t80 -70.63 -12.69 61.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 65.15 110.987 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.5 t -92.36 -47.53 7.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 71.44 110.017 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.35 -51.36 61.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 63.52 110.28 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.84 -44.46 73.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 63.34 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.735 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.96 -33.29 73.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 74.31 109.316 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -71.28 -24.38 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 53.04 109.294 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.7 HD21 ' SD ' ' A' ' 471' ' ' MET . 27.5 tp -64.74 -50.56 66.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 63.44 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -58.26 -14.1 6.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 73.21 111.025 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.3 t -130.76 30.01 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 73.13 110.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.5 OUTLIER -149.35 19.6 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 70.33 110.31 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -148.69 30.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 73.14 110.311 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.89 HD22 ' HA ' ' A' ' 80' ' ' ASP . 68.5 mt -153.43 144.47 22.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 61.15 109.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -134.28 -87.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 64.15 109.294 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.9 m -76.01 -83.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 72.11 110.029 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -75.56 58.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 60.21 109.315 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.89 ' HA ' HD22 ' A' ' 76' ' ' LEU . 3.3 t70 -59.05 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 62.23 109.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.512 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 0.4 OUTLIER -44.18 -55.29 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.42 109.991 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.15 -41.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 64.23 110.331 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.477 ' HB3' HD21 ' A' ' 76' ' ' LEU . 2.9 tp60 -61.58 -65.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 65.23 110.357 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.492 ' OE1' ' CD1' ' A' ' 463' ' ' LEU . 5.3 pt-20 -59.39 -14.22 11.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 63.35 110.3 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.872 HD22 HD12 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -77.31 -49.65 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 74.41 109.29 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 86' ' ' LEU . 1.9 pp -74.13 -29.34 61.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 73.23 109.311 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.632 ' HB2' ' HB1' ' A' ' 466' ' ' ALA . 90.4 mt-10 -69.61 -34.41 74.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 74.13 110.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -91.09 -10.42 42.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 64.44 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.463 ' HA ' HD11 ' A' ' 100' ' ' ILE . 33.2 t80 -75.21 -60.49 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 75.52 111.017 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 5.5 ptpt -63.39 -43.04 98.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 73.02 109.309 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.521 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -51.46 -50.85 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 64.43 109.334 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.927 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.3 m-85 -68.32 -44.42 75.42 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 123.65 1.69 . . . . 64.11 110.997 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -72.01 98.7 2.12 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.862 -1.066 . . . . 74.41 110.011 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -29.87 20.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.4 109.326 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -77.13 -49.86 14.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 54.3 109.256 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 91.15 68.49 1.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.108 . . . . 62.21 111.004 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.559 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -126.35 1.43 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 74.11 109.244 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.808 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 81.46 13.55 80.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.094 . . . . 72.1 111.034 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.808 HD23 ' O ' ' A' ' 98' ' ' GLY . 1.5 mt -148.57 114.44 5.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 62.32 109.283 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.615 HD13 ' CB ' ' A' ' 92' ' ' PHE . 65.8 mt -74.61 102.72 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 72.33 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.1 p -66.92 175.86 2.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 73.12 109.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 125' ' ' LEU . . . -48.56 -69.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 72.32 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.481 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -41.49 -66.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 44.11 109.315 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ALA . 40.2 mt-10 -37.96 -30.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 75.11 110.257 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.858 HD23 HG23 ' A' ' 121' ' ' VAL . 1.5 tp -88.75 -72.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 74.25 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.85 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -47.25 -63.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 70.04 109.321 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.523 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -39.5 -42.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 71.43 109.612 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.927 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.2 t -67.11 -47.28 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 73.24 109.315 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 106' ' ' LYS . 3.0 mm? -57.13 -35.6 69.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 73.31 109.258 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.8 m -82.09 -13.78 56.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 63.41 110.355 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -3.72 57.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 73.12 109.976 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.874 HG21 HD11 ' A' ' 465' ' ' ILE . 10.8 pt -113.74 -33.3 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 74.35 109.278 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.74 -36.88 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 64.11 110.978 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 24.3 mm-40 -50.54 173.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 64.22 110.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 114' ' ' GLU . 21.3 mtpp -154.99 114.38 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 72.13 109.28 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 5.8 mt -131.77 130.44 41.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 64.22 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -67.85 159.4 30.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 71.32 110.388 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.449 ' HA ' HG12 ' A' ' 121' ' ' VAL . 0.6 OUTLIER -57.51 -29.7 64.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 72.31 109.273 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.07 -20.08 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 72.01 109.278 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 116' ' ' LEU . 6.0 mt-10 -86.16 -29.56 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 75.53 110.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.946 ' O ' HD22 ' A' ' 125' ' ' LEU . 9.6 p -83.93 -54.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 71.14 109.325 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.565 ' N ' HG13 ' A' ' 121' ' ' VAL . 14.4 t70 -47.46 -24.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.31 109.301 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 121' ' ' VAL . 6.2 t0 -91.23 -35.11 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 65.31 109.323 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 121' ' ' VAL . 21.7 ttm -55.68 -34.71 65.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 72.43 110.959 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.946 HD22 ' O ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -69.76 -55.08 10.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 51.45 109.266 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 125' ' ' LEU . 31.3 mtt180 -35.55 -33.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 73.14 110.286 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.0 mm-40 -43.61 -50.21 7.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 70.04 110.335 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 23.1 m -132.05 10.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 73.34 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.5 p -97.56 17.06 18.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 75.22 109.975 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.5 t0 40.77 45.11 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 71.41 109.266 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 57.48 43.14 94.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 72.5 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 129' ' ' SER . 30.9 t -103.61 -84.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 75.4 109.998 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.68 -24.28 0.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 73.11 110.987 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -120.4 156.75 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 74.32 110.358 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.614 HD11 HD13 ' A' ' 105' ' ' LEU . 4.7 pt -130.05 121.2 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 74.11 109.279 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.737 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -85.98 177.25 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 75.42 109.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.511 HG23 ' OE1' ' A' ' 138' ' ' GLN . 8.9 tp -51.07 -22.38 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 71.41 109.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.511 ' OE1' HG23 ' A' ' 137' ' ' ILE . 6.6 mm100 -85.62 -57.11 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 71.54 110.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.652 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 22.4 mt-30 -62.53 -57.3 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 72.22 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.61 ' CZ ' HD11 ' A' ' 144' ' ' LEU . 21.7 t80 -42.95 -50.61 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 74.1 110.996 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.833 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -53.31 -35.94 60.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 63.22 109.291 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -50.01 -34.08 20.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 60.52 109.263 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.436 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.4 mt -72.93 -43.98 61.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 61.33 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.872 HD12 HD22 ' A' ' 85' ' ' LEU . 11.0 mt -86.83 11.77 12.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 72.54 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 141' ' ' ALA . 22.9 t -118.6 -34.46 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 45.2 109.979 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 -67.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 65.13 109.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 106.33 -115.64 4.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 73.52 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.415 ' H ' HG23 ' A' ' 150' ' ' THR . 11.9 t 176.97 113.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 73.12 110.003 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 59.9 m 56.68 57.65 4.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 42.42 110.014 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.46 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 43.7 p -106.19 -171.97 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 65.3 110.369 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.88 -81.45 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.579 1.174 . . . . 74.31 110.986 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 2.4 m -135.41 9.5 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 73.32 110.423 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -119.88 -47.8 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 61.04 110.289 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.46 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 16.5 mmt180 -82.71 -28.27 30.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 74.12 110.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -23.24 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 72.32 109.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -88.55 -16.07 33.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 74.32 109.27 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.5 OUTLIER -68.85 -51.0 45.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 55.44 109.315 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.447 ' HB2' ' CD2' ' A' ' 144' ' ' LEU . 4.1 ptp180 -60.72 -38.18 84.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 74.34 110.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.873 ' HA ' HD22 ' A' ' 463' ' ' LEU . 3.5 t-20 -59.5 -45.38 91.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 73.34 109.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 1.019 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -44.38 -27.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 73.4 109.324 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.658 HG23 ' HE1' ' A' ' 92' ' ' PHE . 56.4 mt -89.33 -40.07 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 65.21 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.873 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.2 OUTLIER -41.08 -34.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 73.12 109.288 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.72 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -83.52 -47.61 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 70.02 109.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.874 HD11 HG21 ' A' ' 112' ' ' ILE . 58.3 mt -50.62 -22.57 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 75.42 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.27 -72.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 60.21 109.308 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.452 ' HZ3' ' HG3' ' A' ' 72' ' ' MET . 21.2 mttp -45.44 -65.04 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 74.51 109.25 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.873 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 95.7 t -38.72 -30.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 75.43 109.279 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.3 t -80.03 -68.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 60.21 109.979 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.531 ' CD ' ' CG2' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -43.12 -48.05 6.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 73.22 110.264 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.7 ' SD ' HD21 ' A' ' 71' ' ' LEU . 1.2 mtm -37.26 -40.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 65.42 111.001 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.673 ' HA ' HD23 ' A' ' 51' ' ' LEU . 7.3 t80 -56.55 -46.92 80.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 65.31 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 470' ' ' ARG . 1.0 OUTLIER -69.03 -31.81 70.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 61.22 110.002 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.531 ' CG2' ' CD ' ' A' ' 470' ' ' ARG . 40.5 t -66.74 -46.06 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 74.1 109.33 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -49.27 -36.95 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 73.04 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 60.45 110.285 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.008 -0.837 . . . . 43.24 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.0 m -118.23 163.61 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 60.25 110.01 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -170.03 147.02 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 74.51 109.983 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.8 25.31 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 51.43 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.908 HD13 ' CE2' ' A' ' 12' ' ' PHE . 27.3 mt -66.77 153.8 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 74.52 109.26 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.2 p -125.45 167.19 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 64.41 110.379 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -45.98 -25.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 74.44 110.329 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 456' ' ' LYS . 6.4 tt0 -72.21 -39.95 68.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 64.15 110.276 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' THR . 10.9 mm100 -69.4 -36.83 77.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 54.23 110.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.558 ' N ' HD13 ' A' ' 9' ' ' ILE . 3.6 mm -59.47 -47.76 89.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 52.35 109.24 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.74 -18.42 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 73.4 109.265 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 9' ' ' ILE . 9.9 mm-40 -83.14 -72.32 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 62.32 110.346 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.908 ' CE2' HD13 ' A' ' 4' ' ' LEU . 39.9 m-85 -51.05 -48.78 61.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 70.14 111.033 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -41.71 -39.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 52.4 109.325 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.865 ' OE2' ' HB1' ' A' ' 457' ' ' ALA . 69.1 mt-10 -69.45 -43.55 73.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 72.33 110.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -62.19 -20.13 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 73.53 109.293 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.597 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.9 t80 -76.18 -35.15 59.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 72.33 111.01 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.28 -23.65 66.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 31.42 109.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.927 HD21 ' HG3' ' A' ' 461' ' ' LYS . 59.8 mt -45.43 -39.57 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 61.44 109.293 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.707 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 16.8 m-85 -107.37 -56.26 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 75.24 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.597 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -46.78 95.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 72.55 109.328 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' PHE . 42.4 mmtt -68.36 -67.58 0.46 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 123.682 1.706 . . . . 74.01 109.281 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 22' ' ' ASP . 2.7 p30 -78.64 -2.52 39.45 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 117.874 -1.06 . . . . 71.32 109.978 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 48.47 62.59 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 55.25 109.325 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.8 p30 -93.0 -26.71 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 61.52 109.325 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 112.63 32.9 2.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 61.22 110.959 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.28 115.02 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 75.52 110.027 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.548 HD13 ' HB2' ' A' ' 19' ' ' PHE . 89.2 mt -93.98 100.24 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 70.41 109.323 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 p -64.89 168.61 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 62.13 110.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -67.93 -17.52 64.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 73.34 109.979 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -26.94 28.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 73.32 109.993 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' ' HB ' ' A' ' 34' ' ' THR . 45.4 mt-10 -90.66 -32.94 16.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.12 110.264 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.051 HD22 HG13 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -69.93 -51.32 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 54.14 109.325 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -68.11 -12.75 61.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 72.32 109.321 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -72.74 -26.19 61.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 73.31 110.397 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.668 HG11 ' CE2' ' A' ' 19' ' ' PHE . 1.6 t -86.45 -56.69 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 72.14 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.623 ' CE ' HD13 ' A' ' 41' ' ' LEU . 50.9 mmm -42.41 -50.58 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 53.43 110.982 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' SER . 7.6 ptm180 -62.86 -40.67 98.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 73.24 110.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 68.5 m -56.41 -19.19 13.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 62.42 110.011 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.052 HD13 HG23 ' A' ' 465' ' ' ILE . 19.4 mt -92.59 -21.8 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 73.12 109.354 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.74 3.2 8.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 74.14 111.049 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.623 HD13 ' CE ' ' A' ' 36' ' ' MET . 35.3 mt -80.29 -178.78 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 73.12 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.476 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.1 t -161.3 60.56 1.24 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.41 109.964 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 73.22 110.98 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.99 140.37 49.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 53.02 110.012 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -48.69 -28.25 3.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 73.23 110.351 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.9 -49.64 75.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 75.1 109.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HB3' HD21 ' A' ' 475' ' ' LEU . 4.1 mt-10 -74.86 -50.34 17.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 75.4 110.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.051 HG13 HD22 ' A' ' 32' ' ' LEU . 53.6 t -40.9 -37.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 33.34 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 92.6 m-20 -65.61 -62.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 71.23 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.46 -14.13 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 75.14 109.302 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.749 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.5 tm? -78.91 -54.51 5.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 73.11 109.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.496 ' CB ' HD11 ' A' ' 63' ' ' ILE . 7.3 ptm -79.55 -14.03 59.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 74.13 110.997 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 2.3 m120 -84.53 -8.03 59.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 72.33 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -88.75 -12.49 42.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 41.22 110.301 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.607 HG21 HD22 ' A' ' 71' ' ' LEU . 2.7 mm -116.53 -37.79 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.31 109.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.1 t0 -38.24 120.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.13 109.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 19.9 t -83.16 -21.04 9.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-O 123.593 1.664 . . . . 60.42 109.322 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.501 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 49.8 p30 -113.25 -5.78 13.61 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.912 -1.042 . . . . 54.44 110.011 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 55.62 42.97 85.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 72.12 111.005 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 33.6 p-10 -92.52 13.88 18.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 72.23 109.284 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.673 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 4.8 t-80 66.4 26.07 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 75.31 109.594 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 38.7 mt-30 -150.77 164.23 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 73.11 110.348 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.496 HD11 ' CB ' ' A' ' 52' ' ' MET . 0.2 OUTLIER -113.29 129.78 68.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 73.01 109.28 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.49 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -96.12 175.5 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 74.13 110.319 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.7 t80 -75.82 -12.32 60.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 70.31 110.991 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -92.35 -30.87 15.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 53.35 109.976 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 18.1 mt-10 -84.17 -52.22 6.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 71.12 110.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -54.17 -48.22 71.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 71.24 110.975 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -67.09 -32.44 73.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 60.35 109.336 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.17 -15.74 58.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 65.32 109.319 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.925 HD21 ' SD ' ' A' ' 471' ' ' MET . 9.6 tp -75.57 -44.26 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 72.35 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -61.6 -36.26 80.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 75.51 111.011 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 p -88.43 15.63 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 60.33 110.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -146.86 39.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 72.43 110.326 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.551 ' C ' HD12 ' A' ' 76' ' ' LEU . 19.2 mm-40 -143.36 20.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.23 110.266 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.885 HD11 ' HE3' ' A' ' 467' ' ' LYS . 6.4 mp -129.98 136.42 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 43.21 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.26 -86.82 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 72.22 109.282 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.39 -80.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 72.55 109.977 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.46 43.7 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 75.5 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.611 ' HB2' HD23 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -51.86 -90.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 65.15 109.317 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 80' ' ' ASP . 0.4 OUTLIER -35.75 -59.53 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 62.0 110.004 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -39.33 -48.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 71.22 110.275 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.4 tp-100 -56.7 -64.31 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 75.12 110.314 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 7.9 pt-20 -59.26 -15.22 14.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 63.31 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.89 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -77.31 -67.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 71.14 109.233 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -51.57 -38.24 53.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.41 109.236 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 29.9 mm-40 -69.93 -59.94 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 74.31 110.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.739 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -61.47 -13.86 24.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 70.24 109.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 85' ' ' LEU . 55.1 t80 -85.11 -42.07 15.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.32 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -84.53 -9.14 58.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 62.42 109.298 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -89.59 -45.08 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.23 109.292 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.886 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.1 m-85 -68.35 -41.78 80.22 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 123.614 1.674 . . . . 74.02 110.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -72.71 100.84 2.92 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.876 -1.059 . . . . 73.0 109.988 179.71 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.47 -35.03 23.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 75.13 109.276 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.455 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -73.36 -44.54 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 65.23 109.281 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.92 78.71 1.09 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 62.44 110.974 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.553 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -136.72 8.69 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 75.24 109.302 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.883 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 75.05 15.76 80.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 75.13 111.034 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 98' ' ' GLY . 1.1 mt -149.95 110.63 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 72.54 109.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.622 HD13 ' CB ' ' A' ' 92' ' ' PHE . 64.0 mt -73.82 96.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 63.53 109.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.8 t -59.9 174.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 62.34 109.98 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -50.53 -66.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 40.33 109.255 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.454 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -42.25 -65.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 54.52 109.314 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 24.3 mt-10 -39.18 -28.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 75.01 110.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.458 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -90.59 -72.86 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 72.11 109.324 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.741 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.25 -59.36 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 70.41 109.296 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.808 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.82 -38.38 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 73.2 109.602 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.886 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -72.84 -37.85 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 75.33 109.352 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.545 HD12 ' CB ' ' A' ' 114' ' ' GLU . 1.6 mm? -64.31 -36.01 82.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 73.41 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.441 HG23 ' HZ2' ' A' ' 115' ' ' LYS . 2.2 m -74.58 -32.34 62.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 51.23 110.388 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.446 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -60.21 -14.92 20.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.04 109.992 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.964 HG21 HD11 ' A' ' 465' ' ' ILE . 10.4 pt -109.55 -32.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 73.31 109.277 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.03 -40.12 0.76 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 65.15 111.06 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.545 ' CB ' HD12 ' A' ' 109' ' ' LEU . 22.9 mm-40 -49.18 111.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 70.21 110.309 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HZ2' HG23 ' A' ' 110' ' ' THR . 13.2 mttm -110.59 97.16 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 75.33 109.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 120' ' ' GLU . 5.3 mp -113.86 146.96 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 53.42 109.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.9 p -76.61 155.51 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 61.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.47 -24.65 32.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.52 109.317 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.82 -28.11 28.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.1 109.303 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.516 ' HB3' HD23 ' A' ' 116' ' ' LEU . 33.3 mm-40 -75.29 -49.33 19.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 74.23 110.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.741 HG21 ' HG2' ' A' ' 106' ' ' LYS . 9.8 p -63.05 -52.89 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 63.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.535 ' N ' HG13 ' A' ' 121' ' ' VAL . 4.2 t70 -47.53 -24.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 74.14 109.284 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 121' ' ' VAL . 3.1 t0 -91.15 -35.59 14.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 74.25 109.308 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.462 ' HE3' HD22 ' A' ' 116' ' ' LEU . 33.1 ttm -60.41 -35.14 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 74.41 111.022 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 122' ' ' ASP . 6.2 mt -63.56 -51.44 65.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 71.34 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 29.8 mtt180 -37.5 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 70.13 110.335 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 89.4 mt-10 -44.75 -49.31 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 72.14 110.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 20.8 m -130.65 8.9 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 31.21 109.308 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 132' ' ' SER . 1.3 p -97.21 1.69 50.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 70.24 109.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.4 t70 42.14 28.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.44 109.299 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 129' ' ' SER . . . 72.51 45.33 37.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.117 . . . . 63.02 111.035 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.9 OUTLIER -96.83 -70.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 75.32 109.951 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.58 -13.12 1.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 53.32 110.984 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -149.51 161.55 41.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 74.42 110.277 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.47 HG22 ' HB3' ' A' ' 139' ' ' GLN . 5.4 pt -127.84 129.92 69.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 60.35 109.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.574 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -95.69 -174.99 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 54.31 109.298 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.48 HD12 HD12 ' A' ' 85' ' ' LEU . 11.0 tp -56.36 -17.39 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 75.11 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.425 ' OE1' HG23 ' A' ' 137' ' ' ILE . 5.8 mm100 -88.87 -52.17 5.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 60.31 110.291 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.689 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 62.2 mt-30 -68.74 -56.77 6.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 73.53 110.305 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.494 ' CD2' HD13 ' A' ' 85' ' ' LEU . 19.4 t80 -44.15 -47.29 9.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 73.12 111.001 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.89 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -64.02 -30.68 71.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 43.31 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -52.69 -23.11 6.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 62.43 109.275 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.45 -49.55 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.44 109.308 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.542 HD12 HD22 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -86.7 11.09 13.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 63.25 109.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 141' ' ' ALA . 34.2 t -113.77 -22.49 10.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 74.12 110.033 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.645 ' O ' HG21 ' A' ' 150' ' ' THR . 0.1 OUTLIER -173.52 -77.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 74.43 109.361 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 148' ' ' SER . . . 102.2 137.46 9.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 72.35 111.024 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.41 ' OG ' ' HA ' ' A' ' 127' ' ' GLU . 0.4 OUTLIER -38.32 -36.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.75 . . . . 54.52 109.962 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 12.2 m -166.3 115.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 72.42 109.967 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.645 HG21 ' O ' ' A' ' 146' ' ' LYS . 7.3 p -142.85 114.6 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 74.5 110.425 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.426 ' O ' ' CE ' ' A' ' 456' ' ' LYS . . . -118.64 -80.91 0.73 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 50.35 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 7.1 m -135.71 9.77 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 52.21 110.402 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.44 -51.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 74.12 110.265 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -77.46 -18.29 57.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 70.13 110.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.656 ' HB2' HH21 ' A' ' 459' ' ' ARG . 0.1 OUTLIER -75.85 -18.24 59.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 73.44 109.269 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 457' ' ' ALA . . . . . 0.865 ' HB1' ' OE2' ' A' ' 14' ' ' GLU . . . -86.19 -16.15 38.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.44 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.4 OUTLIER -67.96 -51.43 47.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 55.23 109.282 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.656 HH21 ' HB2' ' A' ' 456' ' ' LYS . 1.5 ptp180 -60.25 -37.61 80.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 74.43 110.269 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.547 ' HA ' HD22 ' A' ' 463' ' ' LEU . 8.3 t-20 -59.55 -34.9 73.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 53.24 109.273 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.927 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -53.73 -28.69 35.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 72.05 109.292 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.634 HG23 ' HE1' ' A' ' 92' ' ' PHE . 25.6 mt -90.07 -30.13 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 54.35 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.627 HD13 ' O ' ' A' ' 459' ' ' ARG . 6.5 mp -50.99 -37.81 47.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 72.51 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.575 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -77.53 -54.39 6.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 65.32 109.298 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.052 HG23 HD13 ' A' ' 39' ' ' LEU . 10.0 mt -51.7 -25.33 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 54.01 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.739 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.22 -60.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.55 109.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.885 ' HE3' HD11 ' A' ' 76' ' ' LEU . 7.0 mttm -58.13 -65.53 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 74.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 67.4 t -38.71 -30.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.23 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.9 OUTLIER -79.3 -51.52 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 72.33 110.031 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.3 tmt_? -53.78 -41.25 67.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 70.44 110.341 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.925 ' SD ' HD21 ' A' ' 71' ' ' LEU . 6.3 mtp -50.76 -20.99 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 75.21 110.967 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 26.2 t80 -89.54 -26.91 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 73.2 111.012 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.4 t -90.56 -3.23 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.34 109.984 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 471' ' ' MET . 9.9 p -106.43 -48.69 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 70.42 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.454 ' N ' HG13 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -43.07 -34.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 73.12 109.279 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 63.55 110.278 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 74.13 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 m -127.95 136.77 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 62.32 110.026 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -124.4 159.31 30.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 75.34 109.996 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.46 24.64 7.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 75.31 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.79 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 9.6 mt -101.18 141.37 34.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 63.23 109.261 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.3 p -98.51 162.25 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 71.32 110.36 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -40.97 -39.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 61.34 110.323 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -67.36 -44.37 79.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 64.44 110.281 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.444 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.8 mm100 -57.7 -31.42 66.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.52 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.766 ' N ' HD13 ' A' ' 9' ' ' ILE . 1.3 mm -69.68 -22.19 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 51.21 109.325 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.58 -12.71 57.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 64.4 109.311 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 66.2 mt-10 -76.3 -62.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 71.31 110.273 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.79 ' CZ ' HD13 ' A' ' 4' ' ' LEU . 32.5 m-85 -53.54 -21.76 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 74.03 111.022 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.576 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 10.3 mmtt -51.72 -47.39 64.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 73.34 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.74 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 6.2 mm-40 -69.9 -45.82 66.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.02 110.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.567 ' O ' ' CZ ' ' A' ' 68' ' ' PHE . . . -60.91 -15.49 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 71.4 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 4.3 t80 -85.42 -41.58 15.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 74.21 110.963 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -24.31 64.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 14.42 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.834 HD21 ' HG2' ' A' ' 461' ' ' LYS . 73.2 mt -44.33 -40.59 5.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 72.34 109.286 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.839 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 7.6 m-85 -112.39 -36.91 5.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 74.44 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -67.51 86.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.11 109.312 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.63 ' HE3' HG21 ' A' ' 34' ' ' THR . 32.2 mmtt -62.52 -66.61 0.51 Allowed 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.6 1.667 . . . . 71.33 109.259 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.84 -11.38 59.97 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.878 -1.058 . . . . 75.32 110.004 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 55.94 57.78 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 72.45 109.298 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 11.3 p30 -91.69 -21.33 20.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 72.5 109.325 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 106.05 34.56 3.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.114 . . . . 62.11 111.005 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.97 112.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 71.23 110.007 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' A' ' 19' ' ' PHE . 61.9 mt -95.25 99.2 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 52.24 109.281 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -67.49 161.95 24.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 60.53 110.044 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 t -57.04 -17.27 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 54.24 109.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.56 -25.39 26.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 54.32 109.993 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.719 ' O ' HG22 ' A' ' 34' ' ' THR . 42.9 mt-10 -90.67 -33.34 15.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 65.22 110.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.031 HD22 HG13 ' A' ' 48' ' ' VAL . 1.3 tt -68.2 -52.59 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 72.33 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.616 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -66.67 -12.13 56.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.43 109.342 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -68.82 -26.06 64.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 44.12 110.353 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.0 t -89.8 -61.45 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 54.1 109.293 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.763 ' HE2' HD13 ' A' ' 41' ' ' LEU . 82.3 mtp -41.12 -53.6 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 55.15 111.022 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.484 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.4 ptp180 -60.27 -42.69 95.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 73.12 110.322 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 37.1 m -56.09 -36.28 67.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 65.15 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.977 HD13 HG23 ' A' ' 465' ' ' ILE . 20.1 mt -69.77 -22.54 63.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 61.24 109.302 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.1 2.45 8.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 73.54 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.763 HD13 ' HE2' ' A' ' 36' ' ' MET . 5.9 mt -77.42 -172.82 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 54.51 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -163.39 61.65 1.05 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 75.1 109.957 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 139.87 24.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 73.32 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 p -84.14 140.47 31.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 55.43 110.043 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 24.7 tt0 -51.87 -27.56 13.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 70.24 110.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.97 74.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 75.41 109.304 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.638 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.4 mt-10 -75.31 -51.58 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 70.22 110.297 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.031 HG13 HD22 ' A' ' 32' ' ' LEU . 55.5 t -40.47 -34.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 73.05 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 87.8 m-20 -65.0 -64.93 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 53.22 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -58.22 -16.57 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 73.14 109.271 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.979 HD11 ' HE3' ' A' ' 471' ' ' MET . 1.3 tm? -77.41 -55.37 5.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 71.42 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 27' ' ' ILE . 1.3 ptp -77.66 -14.0 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 63.15 111.008 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -86.45 -8.02 57.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 55.31 109.288 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.963 ' C ' HD13 ' A' ' 55' ' ' ILE . 6.3 mm-40 -91.02 -7.55 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 73.5 110.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.963 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.1 mm -117.73 -46.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 55.31 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 3.5 t0 -38.68 120.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 74.04 109.318 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.565 HG23 ' HG2' ' A' ' 67' ' ' GLU . 54.7 t -81.98 -18.48 11.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.631 1.682 . . . . 54.33 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.8 p-10 -114.4 -7.25 12.89 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.919 -1.039 . . . . 63.14 109.994 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.26 41.04 92.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 64.24 110.975 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.2 p-10 -90.15 17.32 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 71.02 109.258 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.557 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 25.7 t-80 59.25 34.4 23.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 63.21 109.596 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 44.8 mt-30 -158.81 148.94 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 72.24 110.334 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.67 127.42 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 74.24 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.562 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -91.57 179.44 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 72.05 110.297 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.74 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 1.9 t80 -76.16 -12.88 60.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 71.42 111.025 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.3 t -94.73 -40.65 9.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 55.04 110.011 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.565 ' HG2' HG23 ' A' ' 57' ' ' VAL . 45.2 mt-10 -69.83 -50.02 46.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 43.32 110.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 79.3 t80 -57.71 -40.81 80.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.15 110.981 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.728 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -69.99 -33.59 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 73.1 109.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -74.29 -16.14 60.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.584 HD12 ' HG2' ' A' ' 75' ' ' GLN . 58.9 tp -75.14 -48.83 21.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.34 109.273 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.744 ' HG3' ' HZ3' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -57.11 -36.68 70.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 73.04 110.99 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -93.25 11.82 26.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 71.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.4 OUTLIER -140.85 26.46 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 72.33 110.308 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.632 ' N ' HD23 ' A' ' 76' ' ' LEU . 6.8 mm100 -118.03 42.17 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 75.22 110.344 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.795 ' N ' HD23 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -141.63 133.43 27.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 72.22 109.28 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -125.86 -64.1 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 75.24 109.267 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.9 m -134.83 -71.67 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 74.13 109.975 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.72 57.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 60.43 109.329 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.492 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -89.38 -58.39 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 72.34 109.269 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' ASP . 30.3 t -38.84 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 72.22 110.02 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' ASP . 16.3 mt-10 -85.77 -50.41 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 74.01 110.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 5.2 mm100 -50.62 -40.26 52.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 70.23 110.267 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -68.93 -28.65 66.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 74.55 110.263 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.853 ' HB3' HD11 ' A' ' 137' ' ' ILE . 8.2 mt -70.63 -58.36 3.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 70.54 109.289 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.424 HD11 ' OE1' ' A' ' 83' ' ' GLN . 2.8 pp -60.79 -45.14 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 44.53 109.324 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.3 mm-40 -54.33 -45.17 72.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 72.05 110.311 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.881 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -76.89 -28.8 55.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 72.55 109.317 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.449 ' HA ' HD11 ' A' ' 100' ' ' ILE . 9.0 t80 -63.48 -64.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 74.34 111.037 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -29.95 69.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 65.31 109.273 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.2 t -63.57 -54.59 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 72.03 109.325 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.979 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.8 m-85 -66.08 -40.09 90.57 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.627 1.679 . . . . 70.35 111.031 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -74.27 97.43 2.99 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.868 -1.063 . . . . 71.54 109.98 179.688 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -31.22 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 75.14 109.289 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.468 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.96 -45.47 27.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 75.14 109.3 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.59 77.72 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 50.22 111.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.663 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.88 10.38 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 65.02 109.302 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.878 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.87 18.9 74.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 50.42 111.014 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.3 mt -149.86 114.69 5.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 75.35 109.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.516 HD13 ' CB ' ' A' ' 92' ' ' PHE . 51.5 mt -80.63 104.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 62.22 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 t -71.4 -174.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 75.01 110.009 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 106' ' ' LYS . . . -53.66 -71.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 41.34 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.83 -66.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 73.14 109.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB3' HG23 ' A' ' 100' ' ' ILE . 74.6 mt-10 -38.38 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.11 110.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.769 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -94.38 -73.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 72.41 109.302 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.764 ' HB3' HG21 ' A' ' 121' ' ' VAL . 1.1 ptmm? -45.6 -56.18 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.21 109.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.785 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.87 -42.88 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 73.41 109.575 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.979 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -66.07 -49.39 76.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 71.44 109.326 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.488 ' O ' ' CG1' ' A' ' 112' ' ' ILE . 1.2 mt -59.63 -26.87 65.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 64.23 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 1.8 m -85.08 -10.27 57.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.44 110.403 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.502 ' OG ' HD23 ' A' ' 39' ' ' LEU . 25.4 t -85.4 -0.29 54.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 74.05 109.965 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.041 HG21 HD11 ' A' ' 465' ' ' ILE . 6.3 pt -109.67 -32.91 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 72.45 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 145.08 -35.9 1.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 63.04 110.99 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.5 ' OE2' HD13 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -61.15 173.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 64.04 110.358 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 1.0 OUTLIER -156.56 129.52 7.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 62.14 109.27 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.539 ' CD2' ' CE ' ' A' ' 124' ' ' MET . 1.6 mp -124.1 143.99 50.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 74.2 109.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.2 p -73.41 154.14 40.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 74.22 110.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -27.77 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 75.3 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.27 -23.89 30.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 43.14 109.324 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -76.07 -57.11 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 73.5 110.319 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.957 ' O ' HD22 ' A' ' 125' ' ' LEU . 0.7 OUTLIER -59.34 -50.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 71.13 109.316 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.526 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 15.5 t70 -49.64 -26.1 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 70.02 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -32.44 16.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 64.12 109.312 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.539 ' CE ' ' CD2' ' A' ' 116' ' ' LEU . 56.4 ttm -58.19 -37.9 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 74.12 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.957 HD22 ' O ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -66.16 -57.02 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 44.3 109.284 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 125' ' ' LEU . 45.5 mtt180 -35.21 -33.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 64.35 110.265 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 125' ' ' LEU . 77.9 mt-10 -42.76 -51.18 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 74.04 110.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.506 HG11 ' CB ' ' A' ' 142' ' ' ALA . 33.1 m -132.84 11.83 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 73.42 109.309 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.3 p -96.76 13.86 27.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 71.33 109.995 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.6 t70 40.01 46.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 73.43 109.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.86 44.37 87.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 42.32 110.983 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 129' ' ' SER . 28.9 t -104.7 -82.57 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 74.32 110.024 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 158.97 -24.41 0.33 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 73.34 110.939 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -120.19 174.59 6.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 0.76 . . . . 74.23 110.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.769 HD11 ' CD1' ' A' ' 105' ' ' LEU . 9.0 pt -147.13 126.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 65.42 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.552 ' OD1' ' NE2' ' A' ' 139' ' ' GLN . 0.2 OUTLIER -90.49 173.58 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 75.23 109.257 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.853 HD11 ' HB3' ' A' ' 85' ' ' LEU . 5.8 tp -45.27 -26.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 61.45 109.315 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.426 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 7.1 mm100 -80.88 -58.42 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 74.44 110.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.702 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 45.7 mt-30 -63.16 -56.46 16.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 72.33 110.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.556 ' HA ' HD12 ' A' ' 135' ' ' ILE . 44.8 t80 -42.3 -50.45 5.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 73.13 110.964 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -61.27 -34.41 75.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 64.33 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.55 -37.36 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 64.31 109.331 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -43.97 90.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 62.52 109.293 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.632 ' N ' HD23 ' A' ' 144' ' ' LEU . 2.6 mt -69.24 -11.13 60.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 72.43 109.326 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.4 m -136.41 43.8 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 65.34 110.026 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 142' ' ' ALA . 30.9 tptt -176.03 110.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 74.34 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.48 ' O ' ' CG2' ' A' ' 150' ' ' THR . . . -154.24 88.56 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 72.31 111.01 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 56.7 m -81.2 146.74 30.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 61.44 110.034 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 m 40.58 67.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 51.35 110.033 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.556 HG22 ' HB2' ' A' ' 455' ' ' ARG . 31.4 p -81.37 -69.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 71.05 110.332 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 453' ' ' THR . . . 66.94 27.95 73.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 72.41 111.017 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 151' ' ' GLY . 1.5 m 83.17 23.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 0.752 . . . . 62.53 110.426 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -117.18 -35.28 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 65.22 110.313 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.556 ' HB2' HG22 ' A' ' 150' ' ' THR . 11.3 mmt85 -93.86 -44.84 7.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 71.41 110.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 459' ' ' ARG . 5.0 ptmt -59.3 -21.75 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 44.13 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' ALA . . . . . 0.74 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -92.05 -16.71 26.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 75.22 109.316 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.08 -64.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 53.13 109.288 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.554 ' O ' HD13 ' A' ' 463' ' ' LEU . 4.1 ptp85 -58.66 -27.87 65.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 74.44 110.355 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.843 ' HA ' HD22 ' A' ' 463' ' ' LEU . 10.0 t30 -69.93 -39.07 76.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 72.11 109.266 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.834 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.24 -29.37 46.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 63.04 109.291 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.77 HG23 ' CE1' ' A' ' 92' ' ' PHE . 14.8 mt -86.18 -28.82 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 74.34 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.843 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.1 OUTLIER -58.64 -40.68 84.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 64.02 109.314 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 18' ' ' LEU . . . -73.96 -59.5 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 74.11 109.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.041 HD11 HG21 ' A' ' 112' ' ' ILE . 19.0 mt -42.8 -30.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 73.25 109.286 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.881 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.84 -71.96 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.05 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.744 ' HZ3' ' HG3' ' A' ' 72' ' ' MET . 25.1 mtpt -45.4 -61.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 53.13 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.839 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 58.3 t -46.72 -46.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 74.12 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 26.9 t -65.98 -27.0 67.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 75.24 110.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -74.21 -44.95 51.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 73.33 110.302 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.979 ' HE3' HD11 ' A' ' 51' ' ' LEU . 2.3 mtm -45.21 -23.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 74.11 111.001 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.618 ' HB2' ' HE3' ' A' ' 36' ' ' MET . 18.1 t80 -88.71 -33.79 17.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 75.51 111.032 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 470' ' ' ARG . 2.7 m -80.98 -1.93 45.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 65.25 109.995 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 12.0 p -111.69 -47.16 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 74.04 109.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.27 -36.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 64.05 109.27 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 74.15 110.232 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.041 -0.823 . . . . 54.54 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.9 p -68.77 74.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 73.42 110.019 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.32 150.98 30.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 73.45 109.982 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -137.05 26.26 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 71.13 109.252 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.821 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -92.01 147.83 22.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 71.31 109.28 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.6 p -96.27 160.06 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 73.21 110.39 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -40.04 -39.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 62.23 110.351 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.87 -46.48 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 55.42 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 5' ' ' THR . 12.6 mm100 -56.07 -30.59 62.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 74.12 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.815 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -67.9 -27.1 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.54 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.79 -12.55 59.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 71.34 109.257 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.48 ' CD ' ' CD ' ' A' ' 456' ' ' LYS . 6.0 mm-40 -76.05 -71.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 70.2 110.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.821 ' CZ ' HD13 ' A' ' 4' ' ' LEU . 38.8 m-85 -41.17 -28.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 64.3 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 29.5 mttt -50.68 -49.03 58.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 61.24 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 461' ' ' LYS . 72.3 mt-10 -61.34 -43.85 98.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.52 110.252 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -66.39 -15.2 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 64.01 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.54 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 4.5 t80 -85.94 -37.81 18.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 72.41 110.999 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.07 -19.96 63.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 63.13 109.252 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.899 HD21 ' HG3' ' A' ' 461' ' ' LYS . 52.9 mt -49.76 -41.77 44.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 62.22 109.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.658 ' HB2' HD13 ' A' ' 27' ' ' ILE . 3.1 m-85 -109.75 -47.2 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 55.24 111.027 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.54 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -58.25 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 45.4 109.286 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.692 ' CE ' HG21 ' A' ' 34' ' ' THR . 31.4 mmtt -66.85 -67.14 0.47 Allowed 'General case' 0 C--O 1.215 -0.734 0 CA-C-O 123.638 1.685 . . . . 72.25 109.27 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -75.7 -8.27 56.4 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 117.887 -1.054 . . . . 72.24 109.981 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.9 m-80 52.0 61.39 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 74.31 109.295 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.4 p30 -91.72 -22.57 20.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 72.1 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 110.04 31.06 3.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 61.32 111.004 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.94 111.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 71.33 109.985 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.658 HD13 ' HB2' ' A' ' 19' ' ' PHE . 94.9 mt -91.15 104.27 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 75.12 109.279 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.54 158.85 35.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 53.4 109.975 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -55.14 -24.31 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 75.12 109.996 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.7 -26.15 44.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 74.31 109.943 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.757 ' O ' HG22 ' A' ' 34' ' ' THR . 40.1 mt-10 -90.59 -30.03 17.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 74.04 110.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.014 HD22 HG13 ' A' ' 48' ' ' VAL . 1.7 tt -70.19 -52.46 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 74.21 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.622 ' HB1' ' NH2' ' A' ' 37' ' ' ARG . . . -67.07 -12.4 59.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 51.33 109.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -68.43 -24.3 64.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 75.24 110.384 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -91.34 -61.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 53.14 109.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.565 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 95.2 mtp -41.81 -57.77 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 63.21 110.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.622 ' NH2' ' HB1' ' A' ' 33' ' ' ALA . 5.2 ptp180 -55.27 -40.64 71.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 72.21 110.255 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 7.8 t -57.0 -34.02 67.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 60.35 109.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.983 HD13 HG23 ' A' ' 465' ' ' ILE . 23.4 mt -74.36 -21.21 59.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.12 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.97 3.96 8.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 54.04 111.067 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.37 -176.89 4.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 65.32 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.469 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 55.6 m -161.73 60.77 1.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 72.14 109.997 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.98 144.45 30.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 74.24 111.018 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.0 p -88.02 140.33 29.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 65.11 109.974 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 18.0 tt0 -50.31 -27.88 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 63.23 110.306 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -49.37 76.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 62.44 109.321 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.94 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.0 OUTLIER -75.76 -51.92 11.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 73.41 110.276 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.014 HG13 HD22 ' A' ' 32' ' ' LEU . 55.5 t -39.91 -34.79 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 60.32 109.347 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 90.5 m-20 -67.01 -63.14 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 73.13 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.561 ' HB3' HD13 ' A' ' 475' ' ' LEU . 1.5 t70 -57.52 -16.8 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 54.03 109.332 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.753 ' HB2' HD22 ' A' ' 475' ' ' LEU . 1.3 tm? -80.07 -52.44 7.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 61.13 109.309 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.538 ' HB2' HD11 ' A' ' 63' ' ' ILE . 10.9 ptm -79.16 -11.89 59.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 71.44 111.015 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 m120 -87.28 -8.2 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 72.44 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.2 mm-40 -81.39 -21.77 38.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 62.53 110.28 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.746 HG13 HD22 ' A' ' 71' ' ' LEU . 1.9 mm -107.35 -40.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 71.34 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.5 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 5.0 t0 -39.27 116.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 73.21 109.28 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.8 t -94.93 -7.78 9.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 123.631 1.681 . . . . 62.44 109.285 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 42.1 p-10 -117.62 -10.94 10.5 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 117.941 -1.028 . . . . 75.32 110.007 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 62.73 36.26 93.06 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.426 1.079 . . . . 74.53 110.973 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.5 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 31.4 p-10 -92.42 27.3 2.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 72.4 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.634 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 12.5 t-80 43.41 42.52 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 65.42 109.585 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.528 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 37.3 mt-30 -160.95 162.35 31.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 63.11 110.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.538 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.3 OUTLIER -111.4 126.19 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 74.31 109.328 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.464 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -94.15 175.23 6.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 73.43 110.294 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.815 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.2 t80 -74.53 -12.69 60.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 72.03 110.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -90.9 -43.0 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.1 109.993 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -70.37 -56.03 7.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 74.32 110.301 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 86.7 t80 -50.22 -45.98 54.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 70.14 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.772 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -67.34 -34.19 76.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 72.23 109.292 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.63 -16.3 62.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 74.54 109.304 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.766 HD21 ' CE ' ' A' ' 471' ' ' MET . 15.8 tp -77.04 -60.64 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 75.04 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.455 ' HE1' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -39.9 -49.5 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 72.01 110.954 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.553 ' OG ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -72.75 -33.19 66.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 63.35 110.027 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -102.37 58.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 74.34 110.305 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.62 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -144.9 19.09 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 71.22 110.252 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.62 HD23 ' OD1' ' A' ' 80' ' ' ASP . 7.0 mp -121.43 131.13 53.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 62.12 109.286 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.473 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 54.6 mttt -123.34 -72.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.35 109.313 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 p -128.12 -84.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 75.24 109.992 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.459 ' O ' ' CB ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -89.29 18.19 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 74.31 109.311 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.62 ' OD1' HD23 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -41.1 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 74.24 109.287 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -42.16 -28.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 74.51 109.987 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 79' ' ' ASN . 0.8 OUTLIER -72.48 -44.27 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 74.44 110.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 80' ' ' ASP . 4.4 mm100 -67.62 -65.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.172 . . . . 74.23 110.273 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -38.71 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 52.23 110.281 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.829 ' HB3' HD11 ' A' ' 137' ' ' ILE . 7.1 mt -67.31 -65.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 73.05 109.293 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 87' ' ' GLU . 2.8 pp -57.19 -46.92 82.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 62.22 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.555 ' O ' HG23 ' A' ' 91' ' ' VAL . 43.2 mm-40 -51.69 -44.45 63.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 75.25 110.313 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.783 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -80.59 -24.65 39.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 64.52 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.7 t80 -66.18 -64.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 72.02 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -61.02 -31.26 70.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 71.1 109.289 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.1 t -60.94 -56.38 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 75.14 109.3 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 1.013 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.7 m-85 -64.56 -43.8 92.77 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 123.623 1.678 . . . . 74.23 111.004 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.86 99.01 1.32 Allowed 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 117.896 -1.049 . . . . 61.01 109.98 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -30.22 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 65.14 109.339 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -78.32 -43.5 27.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 72.11 109.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.96 78.52 1.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 74.14 110.971 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.655 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.62 11.46 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 74.43 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.868 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 68.08 18.81 71.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 72.25 110.989 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -149.88 111.34 4.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 0.798 . . . . 64.53 109.279 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.6 HD13 ' CB ' ' A' ' 92' ' ' PHE . 64.6 mt -77.13 104.74 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 71.53 109.306 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -70.22 -175.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 30.05 110.012 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.584 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -54.01 -70.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 51.52 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.16 -67.15 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 75.24 109.256 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ALA . 36.3 mt-10 -37.64 -29.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 64.54 110.284 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.893 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.4 OUTLIER -93.05 -72.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 44.53 109.307 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.599 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -46.04 -56.99 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.02 109.274 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.521 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -47.2 -42.13 19.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 73.24 109.631 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 1.013 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -64.95 -48.4 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 72.05 109.284 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 114' ' ' GLU . 2.8 mm? -59.69 -30.02 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 72.41 109.322 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.5 m -82.12 -23.83 35.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 73.51 110.404 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 38' ' ' SER . 0.4 OUTLIER -71.98 -7.87 51.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 72.44 109.988 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.88 HD13 HD11 ' A' ' 465' ' ' ILE . 15.6 pt -114.61 -33.09 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 54.35 109.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.16 -34.43 0.85 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 30.41 111.039 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' LEU . 10.8 mm-40 -61.46 111.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 65.35 110.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -108.91 105.11 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.02 109.289 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.464 HD23 ' HB3' ' A' ' 120' ' ' GLU . 5.9 mp -115.04 146.51 41.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 75.13 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.1 p -79.41 157.84 27.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 62.45 110.398 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 0.8 OUTLIER -54.3 -32.64 56.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 61.15 109.326 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.73 -24.96 53.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 72.24 109.332 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.464 ' HB3' HD23 ' A' ' 116' ' ' LEU . 41.2 mm-40 -77.71 -55.69 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 72.21 110.315 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -64.08 -50.44 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 75.14 109.326 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.517 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 12.7 t0 -47.6 -24.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 60.01 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.67 -35.24 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 74.25 109.309 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 121' ' ' VAL . 28.3 ttm -63.82 -30.73 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 75.3 110.941 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.987 HD13 ' O ' ' A' ' 133' ' ' GLY . 12.7 mt -68.34 -58.34 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 50.15 109.289 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 125' ' ' LEU . 15.1 mtt-85 -36.32 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 65.14 110.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.5 mm-40 -43.39 -49.29 7.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 62.14 110.321 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.411 HG11 ' CB ' ' A' ' 142' ' ' ALA . 31.2 m -132.49 8.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 65.34 109.271 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.45 ' HB3' ' C ' ' A' ' 125' ' ' LEU . 1.4 p -91.95 1.92 56.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 44.31 109.966 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.3 t70 51.12 27.17 3.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 63.3 109.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . . . 89.27 -23.64 17.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.152 . . . . 64.14 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 133' ' ' GLY . 86.2 p -39.07 -78.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 71.24 110.016 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.987 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 147.84 -17.64 1.41 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 73.13 111.027 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.6 mt-10 -119.96 178.9 4.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 0.772 . . . . 74.24 110.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.893 HD11 ' CD1' ' A' ' 105' ' ' LEU . 5.4 pt -148.03 119.86 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 54.42 109.341 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.588 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -87.56 175.87 7.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 64.53 109.323 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.829 HD11 ' HB3' ' A' ' 85' ' ' LEU . 5.3 tp -47.58 -23.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 63.24 109.262 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.422 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 6.9 mm100 -84.12 -58.3 2.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 74.43 110.333 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.662 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 53.1 mt-30 -62.19 -55.99 23.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 71.14 110.326 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.415 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 37.6 t80 -43.1 -46.55 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.25 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.91 74.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 14.03 109.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.82 -36.31 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 41.12 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.464 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 1.0 OUTLIER -61.46 -62.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 71.32 109.305 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.603 ' N ' HD23 ' A' ' 144' ' ' LEU . 1.8 mt -51.05 -22.43 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 71.42 109.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.6 t -104.48 32.97 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 74.34 109.986 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.502 ' O ' ' CZ ' ' A' ' 459' ' ' ARG . 5.5 tptp -124.73 84.64 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 72.13 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.464 ' HA2' HG21 ' A' ' 150' ' ' THR . . . -129.0 42.79 1.38 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 75.14 111.03 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 17.2 m -109.58 -46.78 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 72.05 110.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.1 m -102.35 45.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 54.55 109.947 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.502 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 11.9 p -118.88 118.58 31.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 62.5 110.412 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -111.27 64.17 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 72.35 111.004 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 453' ' ' THR . 2.9 m 63.63 33.06 13.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 73.42 110.418 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -144.09 -59.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 71.3 110.283 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.502 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 20.2 mmt180 -68.46 -27.83 66.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.43 110.258 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.48 ' CD ' ' CD ' ' A' ' 11' ' ' GLU . 3.3 ptpt -68.18 -30.75 69.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 71.32 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -92.32 -16.24 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.13 109.303 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 458' ' ' LEU . 2.0 tm? -63.95 -57.2 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 70.32 109.315 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 146' ' ' LYS . 3.5 ptp180 -71.6 -19.83 62.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 71.31 110.275 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.88 ' HA ' HD22 ' A' ' 463' ' ' LEU . 19.5 t30 -63.7 -31.07 72.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.34 109.289 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.899 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -57.03 -26.72 60.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 70.11 109.269 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.708 HG23 ' CE1' ' A' ' 92' ' ' PHE . 7.4 mt -86.5 -35.96 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 65.22 109.278 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.88 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.6 OUTLIER -46.78 -46.58 20.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 74.12 109.338 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -71.87 -59.87 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 43.05 109.353 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.983 HG23 HD13 ' A' ' 39' ' ' LEU . 93.4 mt -40.36 -31.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 71.33 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.783 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.02 -72.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 75.24 109.313 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.455 ' CB ' ' HE3' ' A' ' 72' ' ' MET . 35.4 mttt -40.37 -67.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 74.13 109.29 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.556 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 55.7 t -39.12 -38.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 72.5 109.326 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 466' ' ' ALA . 0.1 OUTLIER -71.73 -68.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 74.13 109.947 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.719 ' NH1' HG21 ' A' ' 474' ' ' VAL . 0.0 OUTLIER -37.06 -51.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 75.1 110.303 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.766 ' CE ' HD21 ' A' ' 71' ' ' LEU . 2.2 mtm -42.11 -49.98 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 75.34 111.029 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.565 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 10.7 t80 -50.26 -37.46 36.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.14 110.996 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -71.22 -25.76 62.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 72.42 109.993 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.719 HG21 ' NH1' ' A' ' 470' ' ' ARG . 45.0 t -79.52 -52.01 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 74.31 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.94 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -43.14 -37.67 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.01 109.297 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 71.42 110.3 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.006 -0.837 . . . . 63.33 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.8 m -156.12 110.68 2.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 65.42 109.985 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -81.12 3.93 21.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 74.14 109.999 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 68.74 22.77 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 73.23 109.302 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.713 HD13 ' CE2' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -120.56 145.89 46.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 73.35 109.305 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.5 p -96.56 160.55 14.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 61.32 110.403 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -41.44 -35.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 63.21 110.332 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.596 ' CD ' HG22 ' A' ' 453' ' ' THR . 7.6 tt0 -67.88 -46.7 70.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 74.23 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 11.8 mm100 -57.06 -35.94 69.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.2 110.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.814 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 1.7 mm -65.58 -21.88 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 72.51 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -83.1 -12.33 57.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 63.51 109.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -81.34 -64.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 75.52 110.338 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.713 ' CE2' HD13 ' A' ' 4' ' ' LEU . 52.2 m-85 -50.27 -24.35 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 54.33 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.4 mtmt -56.17 -38.86 71.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 72.42 109.272 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' CB ' ' HE2' ' A' ' 461' ' ' LYS . 5.3 mm-40 -70.42 -45.41 65.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 63.44 110.281 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -61.98 -15.33 42.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 54.05 109.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 5.8 t80 -83.04 -36.45 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 72.31 111.026 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -27.1 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 71.32 109.256 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.767 HD21 ' HG3' ' A' ' 461' ' ' LYS . 72.8 mt -41.53 -34.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 73.14 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.68 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 5.6 m-85 -116.07 -54.28 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 72.44 111.027 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.587 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -50.91 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 64.35 109.348 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' PHE . 39.0 mmtt -72.75 -67.03 0.59 Allowed 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 123.636 1.684 . . . . 72.53 109.297 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -71.48 -3.51 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.903 -1.046 . . . . 75.03 109.976 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 44.38 63.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 71.15 109.271 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 18.5 p-10 -96.07 -24.71 16.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 73.54 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.36 29.4 3.21 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.118 . . . . 74.34 111.004 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.91 111.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 44.32 110.003 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 54.1 mt -84.94 109.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 72.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 p -67.73 168.15 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 64.32 109.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.449 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 1.6 t -68.7 -33.57 74.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 75.33 109.995 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.07 -20.63 60.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 61.51 110.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.658 ' O ' HG22 ' A' ' 34' ' ' THR . 45.9 mt-10 -90.81 -40.28 11.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 53.21 110.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.712 HD22 HG13 ' A' ' 48' ' ' VAL . 2.5 tt -63.39 -51.72 64.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 64.32 109.246 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -65.87 -12.12 52.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.25 109.28 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -70.14 -29.53 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 74.45 110.429 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.554 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 1.8 t -83.33 -65.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 73.15 109.343 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.518 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 78.7 mtp -41.03 -48.28 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 64.2 110.975 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.1 ptm180 -62.35 -39.21 92.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.45 110.346 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.424 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.0 m -61.18 -15.66 36.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 54.21 110.009 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.054 HD13 HG23 ' A' ' 465' ' ' ILE . 8.7 mt -91.54 -19.01 23.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 73.04 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.37 -3.72 8.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.097 . . . . 53.15 110.955 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.511 HD13 ' HE2' ' A' ' 36' ' ' MET . 20.5 mt -73.19 -178.25 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 72.01 109.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.485 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 11.5 p -159.8 59.92 1.4 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 73.33 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -75.01 115.3 4.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 64.42 111.031 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -67.24 139.97 57.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 61.01 110.015 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -43.25 -43.74 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 74.45 110.325 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.96 -50.74 18.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 53.11 109.272 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.18 -48.16 37.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 74.52 110.333 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.712 HG13 HD22 ' A' ' 32' ' ' LEU . 98.7 t -43.12 -32.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 74.11 109.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.25 -63.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 62.53 109.27 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.57 -13.82 35.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 74.24 109.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.2 tm? -79.13 -53.44 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 55.42 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 61' ' ' HIS . 1.8 ptp -76.45 -21.55 55.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 72.41 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -78.33 -7.88 57.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 64.23 109.293 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' C ' HD13 ' A' ' 55' ' ' ILE . 15.7 mm-40 -85.64 -13.95 47.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 61.31 110.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.654 HD11 ' SD ' ' A' ' 471' ' ' MET . 1.4 mm -117.98 -40.83 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 63.42 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 4.7 t0 -38.57 115.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 73.13 109.266 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 97.3 t -94.8 -7.22 10.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.687 1.708 . . . . 75.41 109.351 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 53.7 p-10 -120.12 -10.56 9.39 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.922 -1.037 . . . . 74.31 109.987 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 64.3 37.34 94.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 54.34 111.0 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.4 p-10 -96.76 31.88 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 52.11 109.283 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.644 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 13.4 t-80 40.27 38.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.22 109.615 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.451 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 35.6 mt-30 -157.65 177.57 11.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 71.45 110.318 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.07 127.78 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 72.1 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -95.29 168.09 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.03 110.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.814 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 1.9 t80 -69.5 -13.15 62.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.12 111.043 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.9 p -87.22 -47.08 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 51.14 110.012 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 18.0 mt-10 -69.51 -49.14 57.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 65.13 110.311 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -53.67 -43.51 68.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 75.02 111.0 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.773 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -72.51 -34.6 67.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 73.15 109.305 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.37 -15.83 61.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 60.25 109.303 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.625 HD13 HD12 ' A' ' 55' ' ' ILE . 19.2 tp -73.46 -46.83 45.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 74.53 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' A' ' 467' ' ' LYS . 1.0 OUTLIER -61.76 -40.32 94.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 74.32 110.986 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.1 t -72.07 -9.93 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 75.34 109.993 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.473 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -127.1 39.21 3.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 72.51 110.302 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.492 ' OE1' ' CZ ' ' A' ' 470' ' ' ARG . 1.5 mm-40 -142.34 29.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 63.13 110.247 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.772 HD21 ' CE ' ' A' ' 467' ' ' LYS . 0.3 OUTLIER -141.44 118.27 11.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 51.01 109.314 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -135.37 -89.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 73.25 109.289 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 m -90.83 -84.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 34.32 109.955 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -83.02 47.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 72.51 109.284 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -53.22 -95.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 63.45 109.289 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.476 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 15.5 t -36.89 -57.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 71.31 110.024 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.14 -51.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 74.52 110.332 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -55.21 -64.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 73.13 110.302 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' CA ' ' HB1' ' A' ' 466' ' ' ALA . 9.7 pt-20 -59.04 -14.37 9.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 74.53 110.27 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.125 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -79.74 -59.79 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 70.52 109.26 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 87' ' ' GLU . 1.5 pp -63.61 -47.73 80.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 71.15 109.273 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.646 ' N ' HD12 ' A' ' 86' ' ' LEU . 56.8 mm-40 -54.11 -34.74 61.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 75.34 110.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -90.34 -20.94 22.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 64.15 109.328 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' LEU . 21.8 t80 -67.83 -63.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 54.34 111.007 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' CB ' ' NZ ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -63.27 -32.75 74.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 52.22 109.302 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 1.9 t -58.96 -57.44 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 73.03 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 1.007 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.7 m-85 -62.03 -42.9 99.67 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 123.624 1.678 . . . . 72.44 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -70.13 98.6 1.35 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 117.91 -1.043 . . . . 54.33 109.96 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -30.34 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 72.15 109.27 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.463 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -77.83 -45.41 24.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 75.53 109.317 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.35 77.69 1.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.455 1.097 . . . . 74.15 110.971 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.646 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.86 10.48 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 61.54 109.301 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.859 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.72 18.31 73.92 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 71.44 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.859 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -149.7 110.56 4.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 72.43 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.584 HD13 ' CB ' ' A' ' 92' ' ' PHE . 68.9 mt -74.96 103.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 72.11 109.329 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -70.08 174.9 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 71.43 109.984 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -46.01 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 74.22 109.345 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.39 -67.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 64.24 109.315 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 103' ' ' ALA . 37.6 mt-10 -37.63 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 72.14 110.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.77 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.5 OUTLIER -93.94 -72.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 73.04 109.325 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.662 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -47.74 -55.79 8.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 62.32 109.27 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.529 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -47.98 -40.29 22.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.54 109.571 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 1.007 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -66.82 -50.1 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 65.2 109.276 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.0 -35.23 66.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 63.34 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 99.3 m -80.16 -16.87 53.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 54.52 110.394 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.0 -2.09 54.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.41 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.941 HG21 HD11 ' A' ' 465' ' ' ILE . 6.8 pt -115.83 -33.85 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 65.41 109.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.431 ' N ' HG13 ' A' ' 112' ' ' ILE . . . 153.6 -39.02 0.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 61.03 111.008 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 110' ' ' THR . 7.4 mm-40 -49.2 174.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 72.2 110.314 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.77 105.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 74.22 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.603 ' CD2' ' CE ' ' A' ' 124' ' ' MET . 5.9 mp -121.86 138.51 54.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 71.13 109.303 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.3 p -75.42 157.38 34.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 63.34 110.415 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 4.8 t70 -54.63 -23.03 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 74.43 109.313 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.11 -26.24 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 71.34 109.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -79.01 -50.86 10.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 74.13 110.254 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.662 HG21 ' HB3' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -66.69 -50.99 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 74.43 109.32 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.528 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 16.2 t70 -49.7 -25.3 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 65.44 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -37.02 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 71.22 109.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.603 ' CE ' ' CD2' ' A' ' 116' ' ' LEU . 4.3 tpp -56.32 -37.38 69.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 75.54 110.978 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 127' ' ' GLU . 9.6 mt -64.31 -54.47 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 63.51 109.259 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 125' ' ' LEU . 40.7 mtt180 -36.9 -31.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 71.23 110.272 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' LEU . 73.0 mm-40 -44.26 -50.14 9.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 73.43 110.3 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.52 HG11 ' CB ' ' A' ' 142' ' ' ALA . 33.0 m -132.18 11.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.23 109.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 132' ' ' SER . 2.4 p -98.21 5.33 48.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 70.14 109.982 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' SER . 25.8 t70 40.39 36.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 71.15 109.275 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.98 46.67 90.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 63.13 110.984 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 129' ' ' SER . 2.2 m -97.89 -72.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 61.43 109.995 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.26 -16.46 1.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 71.22 110.995 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 27.5 mt-10 -141.81 170.33 15.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 71.04 110.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.77 HD11 ' CD1' ' A' ' 105' ' ' LEU . 4.8 pt -138.36 130.44 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 62.12 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.559 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.75 -174.36 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.35 109.284 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.542 HD12 HD12 ' A' ' 85' ' ' LEU . 11.2 tp -58.06 -16.46 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 65.33 109.326 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -90.34 -49.68 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 61.21 110.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.668 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 62.2 mt-30 -70.53 -56.97 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 74.01 110.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.418 ' CD2' HD13 ' A' ' 85' ' ' LEU . 16.5 t80 -43.52 -49.12 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 72.12 110.989 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 1.125 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -62.05 -31.83 72.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 71.12 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -55.33 -29.43 58.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 73.14 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.45 -47.23 34.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 74.35 109.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.699 HD21 HD12 ' A' ' 462' ' ' ILE . 8.1 mt -74.22 -4.18 34.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 74.44 109.305 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.0 t -122.97 -0.59 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 63.31 110.001 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 142' ' ' ALA . 0.2 OUTLIER 177.48 113.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 74.05 109.32 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.563 ' HA3' HG21 ' A' ' 150' ' ' THR . . . -117.67 -168.43 14.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 62.12 111.023 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.4 ' OG ' ' CD ' ' A' ' 127' ' ' GLU . 0.7 OUTLIER -86.29 111.28 20.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 75.14 109.939 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.8 t 38.67 55.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 61.42 109.999 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.563 HG21 ' HA3' ' A' ' 147' ' ' GLY . 27.0 p -80.28 105.77 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 74.5 110.362 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -116.26 -79.45 0.77 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 73.23 111.037 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.596 HG22 ' CD ' ' A' ' 7' ' ' GLU . 73.4 p -132.17 5.44 4.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 72.24 110.398 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 -125.76 -63.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 73.24 110.336 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -62.37 -29.61 70.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 71.32 110.279 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -23.14 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 62.25 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' ALA . . . . . 0.437 ' O ' ' NZ ' ' A' ' 461' ' ' LYS . . . -75.15 -22.09 58.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 72.43 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.18 -52.39 65.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 74.31 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -69.68 -21.89 63.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 73.31 110.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 0.59 ' HA ' HD12 ' A' ' 463' ' ' LEU . 30.3 t30 -73.2 -23.6 60.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 73.32 109.32 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.767 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -65.57 -25.32 67.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 62.13 109.287 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.736 HG23 ' HE1' ' A' ' 92' ' ' PHE . 6.1 mt -90.4 -37.95 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 52.32 109.332 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 460' ' ' ASN . 94.8 mt -40.41 -48.59 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 54.24 109.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 0.597 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -68.03 -55.62 11.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.127 . . . . 74.33 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.054 HG23 HD13 ' A' ' 39' ' ' LEU . 22.6 mt -50.61 -21.74 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 71.13 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.04 -66.89 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 70.51 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.772 ' CE ' HD21 ' A' ' 76' ' ' LEU . 24.6 mttt -57.7 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 62.53 109.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.68 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 61.8 t -39.2 -38.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 70.25 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 10.1 t -71.66 -48.51 47.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 75.11 110.023 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.492 ' CZ ' ' OE1' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -57.13 -36.02 70.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 75.55 110.279 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.654 ' SD ' HD11 ' A' ' 55' ' ' ILE . 8.4 mtm -51.12 -22.42 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.42 111.015 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.518 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 13.4 t80 -89.1 -25.43 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 65.42 110.979 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 5.8 t -91.62 -2.8 56.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 73.42 110.01 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 471' ' ' MET . 10.8 p -107.65 -48.66 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.3 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.586 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.1 OUTLIER -40.2 -33.58 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 65.14 109.271 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.41 110.283 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' GLY . . . . . 0.468 ' HA2' HD11 ' A' ' 76' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.006 -0.838 . . . . 74.11 111.006 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.745 ' O ' HD21 ' A' ' 4' ' ' LEU . 1.7 p 175.06 170.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 55.11 109.987 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -97.05 -160.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 71.51 109.985 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.8 t30 60.02 46.81 10.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 55.24 109.312 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.745 HD21 ' O ' ' A' ' 1' ' ' SER . 0.5 OUTLIER -100.11 162.6 12.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 54.41 109.289 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.2 p -109.39 160.36 16.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 72.23 110.408 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -41.07 -33.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 73.11 110.312 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 30.7 tt0 -69.95 -48.74 57.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.34 110.253 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 4' ' ' LEU . 9.5 mm100 -53.58 -34.16 57.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 72.32 110.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.151 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.6 mm -65.59 -29.98 48.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 75.02 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -70.65 -12.37 61.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 64.54 109.337 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -79.16 -62.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 62.33 110.306 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.59 ' CE2' HD13 ' A' ' 4' ' ' LEU . 67.5 m-85 -52.23 -20.14 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 65.23 110.949 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 2.6 mttt -52.8 -21.35 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 74.05 109.273 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.98 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 74.25 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.049 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -57.83 -17.44 16.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 72.55 109.275 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.605 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 8.4 t80 -78.2 -40.83 36.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 70.23 110.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.62 68.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 70.42 109.261 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.979 HD21 ' HG3' ' A' ' 461' ' ' LYS . 72.9 mt -41.28 -41.65 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 70.14 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.603 ' HZ ' HG11 ' A' ' 468' ' ' VAL . 18.2 m-85 -104.42 -54.7 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 74.31 110.998 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.605 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.75 92.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 64.23 109.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' PHE . 44.1 mmtt -72.39 -67.34 0.56 Allowed 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.643 1.687 . . . . 63.03 109.318 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 22' ' ' ASP . 2.9 p30 -72.98 -6.45 45.45 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 117.908 -1.044 . . . . 73.03 109.949 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.44 65.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 62.32 109.306 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -98.54 -25.62 14.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 73.5 109.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.4 30.61 2.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 51.2 110.979 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.9 p -168.92 111.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.776 . . . . 75.33 109.989 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 45.3 mt -87.86 107.46 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 72.43 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 p -71.15 157.62 37.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 74.3 109.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -60.62 -26.63 67.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 44.42 109.997 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -71.34 -25.33 62.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 61.44 109.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.622 ' O ' HG22 ' A' ' 34' ' ' THR . 45.7 mt-10 -90.73 -46.42 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 72.41 110.315 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.031 HD22 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -55.64 -50.18 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 64.02 109.3 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.678 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -64.56 -12.61 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 71.32 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -74.96 -32.66 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 71.15 110.425 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -88.8 -60.91 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 73.43 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.458 ' SD ' HD21 ' A' ' 32' ' ' LEU . 77.1 mtp -40.97 -47.26 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.45 111.013 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 9.2 ptm180 -70.13 -35.21 73.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 62.35 110.282 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' VAL . 5.0 m -62.49 -22.25 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 74.12 109.976 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.014 HD13 HG23 ' A' ' 465' ' ' ILE . 10.4 mt -80.34 -18.3 49.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.05 109.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.93 2.34 8.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 71.43 111.027 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.0 mt -87.3 -173.96 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 52.53 109.301 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.453 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 48.1 t -164.98 61.94 0.85 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 51.44 109.969 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 124.37 8.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 63.21 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' GLU . 68.4 m -69.53 140.62 53.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 73.15 110.013 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -42.84 -28.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 75.04 110.309 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.79 -47.78 76.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 75.33 109.285 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' SER . 1.2 mt-10 -76.15 -49.75 16.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 75.11 110.358 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.031 HG13 HD22 ' A' ' 32' ' ' LEU . 53.4 t -40.93 -42.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 71.13 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ASN . 90.9 m-20 -62.64 -63.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 73.13 109.26 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -18.07 4.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 52.44 109.34 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -78.75 -52.85 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 75.55 109.249 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.606 ' HB2' HD11 ' A' ' 63' ' ' ILE . 10.3 ptm -80.97 -8.79 59.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 70.04 110.976 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.1 m120 -86.09 -10.13 55.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 71.01 109.272 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.53 ' C ' HD13 ' A' ' 55' ' ' ILE . 15.2 mm-40 -85.61 -10.17 56.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 65.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.899 HG13 HD22 ' A' ' 71' ' ' LEU . 2.7 mm -117.91 -42.77 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 75.14 109.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.493 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 5.9 t0 -39.44 116.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.52 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.58 -7.84 9.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 CA-C-O 123.595 1.664 . . . . 62.51 109.292 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 32.3 p-10 -115.41 -10.25 12.01 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.899 -1.048 . . . . 71.05 109.969 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 58.84 39.28 93.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 64.01 111.033 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.493 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.3 p-10 -96.28 25.26 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 74.55 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.67 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 9.9 t-80 47.36 40.85 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 51.33 109.649 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.522 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 59.4 mt-30 -160.29 176.29 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 35.44 110.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -123.42 127.09 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 70.44 109.297 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.89 173.72 6.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 75.11 110.291 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 1.151 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 4.0 t80 -74.16 -10.74 59.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 74.34 110.983 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 2.2 p -92.52 -32.85 14.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 64.22 110.025 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.51 -53.56 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 72.13 110.313 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CD2' ' HD1' ' A' ' 16' ' ' PHE . 87.7 t80 -54.03 -49.8 68.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 75.04 111.005 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.085 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.35 -23.62 67.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 70.34 109.296 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.085 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -86.08 -15.59 40.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 60.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.914 HD21 ' SD ' ' A' ' 471' ' ' MET . 9.2 tp -73.61 -48.55 31.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 54.43 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -56.27 -36.33 68.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 62.04 110.997 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 1' ' ' SER . 83.0 p -90.58 22.22 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 64.25 110.013 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.16 54.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 73.02 110.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.494 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 3.7 mm-40 -144.98 15.93 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.24 110.266 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.752 HD22 ' CA ' ' A' ' 80' ' ' ASP . 0.1 OUTLIER -138.19 150.27 46.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 72.33 109.311 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -141.85 -60.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 54.03 109.306 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 p -108.18 -55.07 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 71.32 110.035 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.97 93.18 4.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 71.12 109.277 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.752 ' CA ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.94 -72.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 74.43 109.244 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 28.4 t -72.02 -4.47 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 63.4 110.015 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.532 ' O ' HD23 ' A' ' 86' ' ' LEU . 4.8 mt-10 -94.52 -22.99 17.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 75.53 110.263 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -95.11 -64.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.586 1.178 . . . . 73.31 110.285 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -43.37 -27.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 75.14 110.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.076 HD21 ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -74.23 -68.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 70.13 109.327 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 82' ' ' GLU . 1.8 pp -47.25 -38.3 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 72.32 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 5.6 mm-40 -66.75 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 72.14 110.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.914 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -63.4 -11.86 26.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 72.21 109.302 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' LEU . 36.3 t80 -85.4 -55.98 3.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 75.03 111.003 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' HD2' HD12 ' A' ' 86' ' ' LEU . 2.0 ptmm? -66.89 -35.8 80.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 73.33 109.336 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 1.3 p -59.52 -48.46 87.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 61.3 109.293 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.949 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.0 m-85 -68.78 -42.28 77.61 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.64 1.686 . . . . 75.22 111.004 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -73.08 100.03 2.92 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.876 -1.059 . . . . 63.12 110.012 179.693 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -31.16 19.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 65.31 109.29 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.5 -50.85 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 60.35 109.267 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.452 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 90.77 68.09 1.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 23.11 111.01 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.493 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -124.79 -0.3 8.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 71.15 109.292 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.899 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 84.89 13.69 71.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 34.11 110.99 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.899 HD23 ' O ' ' A' ' 98' ' ' GLY . 0.9 OUTLIER -149.6 113.9 5.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 74.34 109.304 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.599 HD13 ' CB ' ' A' ' 92' ' ' PHE . 68.9 mt -73.2 99.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 75.31 109.24 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.4 p -63.9 168.8 4.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 54.53 110.016 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -43.62 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 64.13 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -42.28 -65.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 64.4 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -38.95 -28.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 73.32 110.279 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.958 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -91.55 -72.93 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 73.42 109.316 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.66 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -45.58 -60.41 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 73.34 109.319 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.79 ' CE1' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.75 -41.43 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 71.04 109.596 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.949 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -67.99 -57.35 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 72.12 109.305 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.514 HD23 HG12 ' A' ' 108' ' ' VAL . 3.5 mt -53.7 -23.35 11.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 70.52 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.2 m -83.89 -25.96 29.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 51.22 110.392 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.684 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.53 -9.03 46.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 75.33 110.017 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.941 HG21 HD11 ' A' ' 465' ' ' ILE . 12.9 pt -112.18 -32.03 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 73.43 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.71 -33.72 0.97 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.137 . . . . 52.31 111.035 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 109' ' ' LEU . 4.0 mm-40 -65.29 106.02 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 71.12 110.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.92 98.9 8.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 61.13 109.249 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.562 HD13 ' HB3' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -96.97 127.13 42.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 71.24 109.265 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.4 p -65.44 158.03 27.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 71.13 110.409 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -55.31 -22.27 18.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 65.53 109.285 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.78 -22.89 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 60.11 109.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.562 ' HB3' HD13 ' A' ' 116' ' ' LEU . 8.3 mm-40 -82.25 -62.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 72.22 110.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.66 HG21 ' HG2' ' A' ' 106' ' ' LYS . 4.1 p -52.12 -50.95 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 54.41 109.296 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.506 ' HA ' HD12 ' A' ' 125' ' ' LEU . 2.3 t70 -47.08 -25.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 71.43 109.303 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 121' ' ' VAL . 28.2 t70 -91.54 -35.5 14.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 71.53 109.334 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.473 ' HE3' ' HB2' ' A' ' 124' ' ' MET . 23.5 ttm -61.39 -33.66 74.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 63.34 111.016 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 122' ' ' ASP . 5.1 mt -67.24 -55.9 12.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 45.44 109.261 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 125' ' ' LEU . 36.0 mtt-85 -37.87 -29.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 73.12 110.31 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 88.3 mt-10 -48.91 -50.64 34.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 74.3 110.292 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.42 HG11 ' CB ' ' A' ' 142' ' ' ALA . 34.5 m -131.35 16.92 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 73.11 109.335 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.5 p -104.26 7.81 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 55.13 110.015 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' SER . 21.8 t70 39.21 46.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 70.24 109.328 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.06 47.52 72.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 53.2 111.001 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 129' ' ' SER . 28.9 t -106.73 -77.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 65.12 109.993 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 150.06 -17.27 1.05 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 60.24 111.042 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.421 ' HB3' ' CB ' ' A' ' 99' ' ' LEU . 21.1 mt-10 -136.02 159.43 41.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 65.14 110.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.958 HD11 ' CD1' ' A' ' 105' ' ' LEU . 6.2 pt -131.32 129.57 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 73.23 109.294 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.634 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.4 -174.01 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 71.31 109.32 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.446 HD13 ' CD2' ' A' ' 89' ' ' PHE . 11.1 tp -59.23 -15.5 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 72.11 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -90.3 -51.12 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 63.04 110.284 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.632 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 57.8 mt-30 -70.03 -56.34 7.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 64.43 110.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' A' ' 136' ' ' ASN . 12.8 t80 -43.55 -48.02 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 73.35 110.993 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 1.076 ' CB ' HD21 ' A' ' 85' ' ' LEU . . . -55.47 -35.69 65.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 71.43 109.264 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.42 -35.87 5.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 62.5 109.297 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.6 -42.12 71.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 73.01 109.317 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 141' ' ' ALA . 8.0 mt -79.04 1.51 23.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 75.3 109.291 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.4 t -155.27 46.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 64.34 109.949 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 142' ' ' ALA . 2.9 tmtt? -87.73 -66.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 64.24 109.279 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 54.52 35.84 57.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 54.4 111.033 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 146' ' ' LYS . 1.4 p -123.69 118.39 27.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 74.45 110.01 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.5 m 65.19 21.89 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 54.02 109.946 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.46 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 19.4 p -102.47 -163.32 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 75.22 110.415 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 158.12 -74.52 0.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 51.45 110.983 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 5.5 p -139.87 12.91 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 75.43 110.425 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -122.2 -53.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 74.44 110.268 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' ARG . . . . . 0.46 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 18.2 mmt180 -80.33 -31.79 37.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 73.33 110.275 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.654 ' HZ1' ' HA ' ' A' ' 457' ' ' ALA . 0.0 OUTLIER -58.98 -24.98 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 65.55 109.352 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 457' ' ' ALA . . . . . 0.654 ' HA ' ' HZ1' ' A' ' 456' ' ' LYS . . . -83.54 -18.24 39.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 42.23 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.5 OUTLIER -64.09 -48.71 75.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 72.1 109.297 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 459' ' ' ARG . . . . . 0.442 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 1.3 ptp85 -76.29 -35.95 58.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 73.43 110.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' ASN . . . . . 1.13 ' ND2' HD12 ' A' ' 463' ' ' LEU . 0.0 OUTLIER -58.84 -31.23 68.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 62.42 109.331 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.979 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -63.31 -29.17 70.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.34 109.25 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.717 HG23 ' HE1' ' A' ' 92' ' ' PHE . 13.6 mt -89.45 -33.12 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 74.13 109.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 1.13 HD12 ' ND2' ' A' ' 460' ' ' ASN . 61.0 mt -47.2 -50.23 21.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.32 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' ALA . . . . . 1.049 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -65.72 -59.03 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 64.43 109.305 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 1.014 HG23 HD13 ' A' ' 39' ' ' LEU . 49.6 mt -42.01 -28.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 65.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 466' ' ' ALA . . . . . 0.914 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -81.86 -72.43 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 74.35 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 469' ' ' SER . 1.2 mtmm -44.55 -64.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 61.01 109.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 468' ' ' VAL . . . . . 0.923 HG22 ' O ' ' A' ' 464' ' ' ALA . 12.4 m -38.52 -31.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.43 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 469' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 467' ' ' LYS . 5.5 t -82.76 -67.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 71.14 110.024 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.58 ' HD3' HG23 ' A' ' 474' ' ' VAL . 1.3 tmt_? -38.63 -30.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.12 110.272 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 471' ' ' MET . . . . . 0.914 ' SD ' HD21 ' A' ' 71' ' ' LEU . 5.5 mtp -56.97 -48.7 77.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 72.32 111.004 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 472' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 4.6 t80 -49.47 -30.3 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.33 111.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 4.2 m -79.1 -27.99 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 53.43 110.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 474' ' ' VAL . . . . . 0.58 HG23 ' HD3' ' A' ' 470' ' ' ARG . 60.7 t -78.23 -56.43 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 61.41 109.294 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.784 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -39.56 -38.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 73.12 109.3 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 61.13 110.306 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.432 -0.21 . . . . 73.22 110.432 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -46.68 -38.95 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 72.25 110.303 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -68.07 -36.48 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 62.23 110.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.41 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 18.9 mm100 -64.55 -31.17 72.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 74.3 110.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.64 HG23 HD22 ' A' ' 69' ' ' LEU . 3.5 mm -67.11 -20.67 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 64.32 109.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.39 -12.39 54.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 70.42 109.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CG ' ' HA ' ' A' ' 8' ' ' GLN . 25.9 mm-40 -76.86 -67.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 72.21 110.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 38.7 m-85 -44.49 -25.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 72.24 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.587 ' CG ' ' CE1' ' A' ' 65' ' ' PHE . 23.5 mttt -53.57 -45.97 70.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 75.32 109.321 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.476 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 26.3 mm-40 -63.78 -44.33 93.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 70.22 110.252 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.735 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -65.96 -15.27 62.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 64.12 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.609 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.2 t80 -81.93 -44.81 16.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 64.42 110.95 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.57 -27.34 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.24 109.28 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.932 HD21 ' HG2' ' A' ' 461' ' ' LYS . 93.5 mt -40.33 -40.53 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 55.43 109.29 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.829 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 5.2 m-85 -113.14 -53.47 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.41 1.069 . . . . 62.21 110.967 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.609 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -51.88 95.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 72.43 109.329 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HE3' HG21 ' A' ' 34' ' ' THR . 5.1 mmtp -75.87 -67.06 0.71 Allowed 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.642 1.687 . . . . 74.24 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -69.38 -7.33 36.52 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 117.931 -1.033 . . . . 45.45 109.973 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 49.66 62.73 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 73.34 109.307 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 24.1 p-10 -97.17 -27.5 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 74.2 109.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 112.77 33.5 2.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 65.14 110.96 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.79 112.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 74.04 110.024 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.613 HD13 ' HB2' ' A' ' 19' ' ' PHE . 95.8 mt -92.0 102.64 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 71.31 109.277 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 p -66.87 175.11 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 53.42 110.02 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -72.2 -28.89 63.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 70.04 109.969 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -26.13 60.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 70.31 109.987 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.688 ' O ' HG22 ' A' ' 34' ' ' THR . 34.5 mt-10 -90.71 -38.04 13.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 64.23 110.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.081 HD22 HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -65.28 -52.63 52.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 72.31 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.735 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -66.01 -12.13 52.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 61.23 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -69.65 -30.37 68.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 53.2 110.41 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.539 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -82.84 -64.58 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 70.42 109.269 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.801 ' HE2' HD13 ' A' ' 41' ' ' LEU . 74.2 mtp -40.43 -53.41 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 63.31 111.015 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -62.07 -34.34 76.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.085 . . . . 75.52 110.32 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -66.51 -26.99 67.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 61.13 109.999 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.047 HD13 HG23 ' A' ' 465' ' ' ILE . 17.2 mt -79.16 -19.74 50.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 63.21 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.14 2.46 8.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 63.14 111.014 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.801 HD13 ' HE2' ' A' ' 36' ' ' MET . 17.6 mt -81.38 -174.62 5.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 0.719 . . . . 74.43 109.278 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.454 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 52.9 p -163.84 61.36 0.95 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 62.44 110.027 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.55 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.98 136.46 20.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 62.32 111.006 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -76.29 140.33 41.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 71.13 110.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 19.6 tt0 -51.67 -27.92 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 62.43 110.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.69 -49.62 75.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 73.51 109.299 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.708 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.6 mt-10 -74.76 -51.29 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 74.41 110.293 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.081 HG13 HD22 ' A' ' 32' ' ' LEU . 54.5 t -40.28 -32.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 70.51 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 91.9 m-20 -72.4 -63.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 65.32 109.324 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' HB3' HD13 ' A' ' 475' ' ' LEU . 23.6 t0 -52.38 -21.03 3.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 72.44 109.284 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.024 HD21 ' HE3' ' A' ' 471' ' ' MET . 5.3 tt -80.3 -62.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 64.52 109.309 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.411 ' HB3' HD13 ' A' ' 32' ' ' LEU . 9.0 ptm -63.2 -14.24 46.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 45.52 111.01 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -93.99 -9.96 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 62.22 109.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.639 ' C ' HD13 ' A' ' 55' ' ' ILE . 14.7 mt-10 -81.88 -12.69 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 65.24 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.799 HG21 ' HB2' ' A' ' 71' ' ' LEU . 1.8 mm -116.36 -41.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 73.13 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 3.3 t0 -39.0 120.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 64.12 109.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.617 HG23 ' HG2' ' A' ' 67' ' ' GLU . 65.1 t -81.83 -17.25 11.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 123.608 1.67 . . . . 75.02 109.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.3 p-10 -116.11 -7.91 11.84 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.885 -1.055 . . . . 74.1 109.976 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.37 41.44 93.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 62.3 111.017 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.435 ' ND2' ' HB2' ' A' ' 62' ' ' GLN . 29.7 p-10 -89.08 16.13 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 71.42 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.652 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 43.4 t60 61.65 29.67 18.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 75.15 109.597 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 44.0 mt-30 -155.56 149.56 25.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 71.32 110.324 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.61 129.1 54.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 63.23 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.522 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -91.97 179.35 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 64.03 110.27 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.5 t80 -76.28 -12.44 60.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 64.13 110.978 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.6 t -94.97 -41.47 9.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 73.4 110.0 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.617 ' HG2' HG23 ' A' ' 57' ' ' VAL . 44.8 mt-10 -68.67 -50.47 50.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 71.42 110.322 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.495 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 88.6 t80 -56.95 -39.86 75.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 75.21 110.956 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -70.41 -34.04 72.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 75.13 109.322 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -75.85 -15.88 60.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 72.11 109.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.799 ' HB2' HG21 ' A' ' 55' ' ' ILE . 20.6 tp -74.02 -46.71 41.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 70.42 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.664 ' HG3' ' HZ3' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -57.42 -29.24 63.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 74.33 110.998 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 p -106.09 18.78 21.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 73.13 110.047 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 74' ' ' ARG . 1.9 tmt_? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 71.42 110.281 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.713 HD21 ' HA ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.308 -0.627 . . . . 75.04 109.308 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 pp -46.67 -39.0 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 64.11 109.336 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 91' ' ' VAL . 6.6 mm-40 -67.27 -58.34 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 73.43 110.292 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.855 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -65.26 -12.1 48.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.54 109.251 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 85' ' ' LEU . 38.9 t80 -84.49 -55.85 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 51.44 110.983 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -75.31 -2.77 29.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 64.54 109.267 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 87' ' ' GLU . 12.6 t -94.05 -42.76 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.03 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.962 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.2 m-85 -77.2 -42.93 35.56 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.592 1.663 . . . . 60.52 111.003 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 0.3 OUTLIER -69.36 97.21 0.94 Allowed 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 117.901 -1.047 . . . . 72.02 110.003 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.37 -29.09 21.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 74.05 109.293 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.468 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -78.06 -44.8 25.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.31 109.321 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.87 77.13 1.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 72.24 111.011 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.64 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.15 9.6 2.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 72.04 109.282 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.871 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.03 18.19 74.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 73.24 111.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.871 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.4 mt -149.96 112.54 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 72.31 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 89' ' ' PHE . 54.7 mt -77.07 102.74 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 44.41 109.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 t -69.64 179.38 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 45.54 109.952 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.573 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -51.74 -66.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 55.4 109.278 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -41.31 -66.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.21 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 93' ' ' ASP . 29.2 mt-10 -39.28 -29.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 71.5 110.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.664 HD13 ' HE2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -88.3 -71.9 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 74.05 109.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.814 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -48.36 -61.19 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 73.42 109.267 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.691 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -41.8 -40.73 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 64.3 109.61 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.962 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -69.16 -44.07 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 63.14 109.322 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 106' ' ' LYS . 2.0 mm? -64.85 -23.08 67.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 63.13 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 m -86.54 -15.27 40.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 70.11 110.37 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.715 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -78.66 -10.24 59.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.14 110.007 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.041 HG21 HD11 ' A' ' 465' ' ' ILE . 4.3 pt -110.87 -26.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 74.34 109.262 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.99 -30.01 2.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 74.53 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' LEU . 18.3 mm-40 -65.5 115.19 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 71.01 110.258 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -111.94 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 72.3 109.342 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.893 HD23 ' HB3' ' A' ' 120' ' ' GLU . 4.4 mp -92.86 141.93 27.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 64.54 109.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLU . 82.6 p -70.8 151.14 45.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 71.22 110.395 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -48.15 -24.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 72.15 109.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.98 -41.24 23.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.21 109.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.893 ' HB3' HD23 ' A' ' 116' ' ' LEU . 35.2 mm-40 -62.84 -42.85 99.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 52.4 110.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.814 HG21 ' HG2' ' A' ' 106' ' ' LYS . 6.4 p -69.23 -52.38 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 72.22 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.537 ' HA ' HD12 ' A' ' 125' ' ' LEU . 11.2 t70 -55.57 -22.09 20.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 73.43 109.235 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.27 -36.8 13.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 62.24 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.492 ' HE3' ' HB2' ' A' ' 124' ' ' MET . 25.4 ttm -60.9 -33.45 73.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 64.22 110.976 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 122' ' ' ASP . 7.6 mt -65.63 -52.31 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 62.33 109.342 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 125' ' ' LEU . 40.9 mtt180 -37.16 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 72.44 110.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 125' ' ' LEU . 13.1 mm-40 -46.26 -50.6 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 61.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.645 ' HB ' ' HB3' ' A' ' 142' ' ' ALA . 23.1 m -129.91 13.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.04 109.339 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.0 p -103.1 2.93 35.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 50.34 109.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 129' ' ' SER . 38.9 t0 38.24 47.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 73.14 109.291 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.96 48.2 74.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 73.42 110.977 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 129' ' ' SER . 40.6 t -100.91 -77.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 75.42 109.949 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 154.85 -20.2 0.58 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.463 1.102 . . . . 71.14 110.985 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.421 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.2 mt-10 -143.09 165.06 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 73.1 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 9.4 pt -130.3 126.46 61.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 52.12 109.291 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.523 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.52 -177.69 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.0 109.248 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.644 HD12 HD12 ' A' ' 85' ' ' LEU . 5.2 tp -54.82 -18.6 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 60.35 109.322 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -87.3 -57.56 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 63.11 110.292 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 142' ' ' ALA . 24.7 mt-30 -65.45 -54.6 26.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 45.14 110.269 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.518 ' HZ ' ' HB1' ' A' ' 88' ' ' ALA . 26.0 t80 -47.99 -34.07 8.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 75.12 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.713 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -76.79 -28.97 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 44.11 109.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.645 ' HB3' ' HB ' ' A' ' 128' ' ' VAL . . . -60.83 -15.17 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 73.12 109.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.51 HD23 HH12 ' A' ' 459' ' ' ARG . 1.2 mt -79.72 -65.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 53.43 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.711 HD12 HD22 ' A' ' 85' ' ' LEU . 4.8 mt -50.82 -21.76 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 64.21 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 74.33 109.992 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 458' ' ' LEU . 27.4 mmt180 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.299 -0.26 . . . . 74.04 110.299 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -24.89 3.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 53.31 109.368 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . 0.476 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -91.95 -26.84 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 73.53 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 455' ' ' ARG . 0.9 OUTLIER -67.19 -43.57 81.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 73.42 109.294 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.51 HH12 HD23 ' A' ' 143' ' ' LEU . 5.6 ptp180 -80.65 -24.96 38.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 72.35 110.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.906 ' HA ' HD22 ' A' ' 463' ' ' LEU . 15.7 t30 -59.43 -29.74 67.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 73.51 109.328 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.932 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.21 -26.9 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 72.51 109.279 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.691 HG23 ' HE1' ' A' ' 92' ' ' PHE . 14.8 mt -87.14 -32.08 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 44.41 109.285 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.906 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.6 OUTLIER -51.79 -44.33 63.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 72.31 109.293 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.735 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -75.01 -59.6 2.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.33 109.282 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.047 HG23 HD13 ' A' ' 39' ' ' LEU . 13.1 mt -41.17 -30.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 63.13 109.321 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.855 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.93 -67.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 70.41 109.266 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.664 ' HZ3' ' HG3' ' A' ' 72' ' ' MET . 29.4 mtpt -48.12 -62.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 74.1 109.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.829 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 51.9 t -47.14 -44.75 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 60.45 109.29 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 24.7 t -67.24 -27.66 67.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 71.33 110.001 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.2 OUTLIER -81.65 -25.1 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 62.42 110.316 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 1.024 ' HE3' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -61.95 -26.21 68.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 74.14 111.01 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.638 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 31.8 t80 -75.43 -21.76 57.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 73.12 111.008 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -89.02 -11.11 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.14 110.012 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 48.8 t -101.45 -49.27 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 61.35 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.973 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -38.37 -37.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.15 109.309 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 73.12 110.314 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.392 -0.225 . . . . 71.22 110.392 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.32 -25.62 59.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 75.14 110.273 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -79.77 -21.91 43.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 72.42 110.344 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.415 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 11.5 mm100 -81.97 -29.22 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 65.12 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.924 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 3.4 mm -65.74 -30.9 51.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.52 -12.38 61.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 44.42 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 12.2 mm-40 -75.71 -68.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 53.53 110.293 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.478 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 45.6 m-85 -47.21 -23.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 75.04 111.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 1.1 mttt -52.44 -42.0 63.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 71.54 109.319 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.65 -59.63 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 52.4 110.303 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.004 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -51.97 -23.61 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 51.4 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 1.7 t80 -74.51 -39.62 62.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 73.34 110.97 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.67 -18.04 51.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 75.53 109.33 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.605 HD21 ' HG2' ' A' ' 461' ' ' LYS . 40.3 mt -56.33 -43.76 79.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 64.3 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.723 ' CZ ' HG21 ' A' ' 468' ' ' VAL . 17.9 m-85 -104.79 -47.59 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 62.25 110.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.601 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -60.08 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 50.33 109.267 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' PHE . 41.7 mmtt -61.08 -67.26 0.42 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.629 1.681 . . . . 75.51 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.87 -13.7 60.27 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.896 -1.049 . . . . 73.03 109.992 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 59.24 58.73 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 64.35 109.285 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.5 p30 -91.92 -22.89 19.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 65.5 109.321 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.21 32.74 2.93 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 35.3 110.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 p -168.76 112.08 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.757 . . . . 73.45 109.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 43.7 mt -92.27 101.56 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 74.24 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -67.81 163.25 22.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 60.21 110.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.62 ' O ' HG11 ' A' ' 48' ' ' VAL . 1.5 t -59.1 -18.07 32.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 73.34 109.958 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.34 -20.85 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 60.32 109.989 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.735 ' O ' HG22 ' A' ' 34' ' ' THR . 44.1 mt-10 -90.56 -35.98 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 75.14 110.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.041 HD22 HG13 ' A' ' 48' ' ' VAL . 2.9 tt -68.51 -46.79 68.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 70.53 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.603 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -69.87 -12.43 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 62.03 109.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -69.68 -24.49 63.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 62.43 110.382 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.523 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.0 t -91.36 -59.46 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 64.13 109.267 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.53 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 85.3 mtp -42.79 -57.37 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 64.15 111.015 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -57.37 -26.76 61.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 75.02 110.326 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' VAL . 1.4 t -76.35 -29.19 57.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 74.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.051 HD13 HG23 ' A' ' 465' ' ' ILE . 15.0 mt -76.97 -20.73 55.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 70.03 109.31 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.09 2.71 8.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 53.54 111.009 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.9 mt -80.43 -177.16 6.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 52.33 109.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 92.0 p -162.57 60.39 1.03 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 63.33 110.018 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.99 154.82 42.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 72.33 111.0 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -94.97 139.89 30.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 71.25 110.025 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.5 tt0 -46.3 -27.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 75.13 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.94 -47.54 74.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 70.24 109.309 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.595 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.0 OUTLIER -75.1 -51.86 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 73.23 110.319 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.041 HG13 HD22 ' A' ' 32' ' ' LEU . 52.5 t -39.96 -30.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 54.05 109.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' ASN . 89.7 m-20 -77.88 -63.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 71.35 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -48.07 -23.15 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 73.33 109.277 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.797 HD21 ' HB3' ' A' ' 471' ' ' MET . 1.4 tm? -76.38 -59.42 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 71.32 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.588 ' HB2' HD11 ' A' ' 63' ' ' ILE . 9.4 ptm -74.33 -4.11 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 61.33 111.022 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.6 m-80 -90.15 -8.15 51.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 62.31 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.614 ' C ' HD13 ' A' ' 55' ' ' ILE . 2.6 mt-10 -95.65 -6.02 41.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 71.31 110.33 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.628 HD12 ' CD1' ' A' ' 71' ' ' LEU . 2.0 mm -117.65 -41.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 72.21 109.314 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 2.9 t0 -39.21 119.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 71.12 109.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 64.6 t -91.7 -13.22 8.95 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 CA-C-O 123.632 1.682 . . . . 72.3 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.1 p30 -117.46 -6.89 11.19 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.909 -1.043 . . . . 73.42 110.009 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.27 42.46 88.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 64.34 111.004 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.418 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 35.0 p-10 -93.84 12.97 24.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 71.13 109.309 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.658 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 31.3 t60 64.79 28.25 12.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 74.41 109.576 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.435 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 41.8 mt-30 -152.13 174.69 13.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 64.43 110.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.588 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -122.8 128.83 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 73.31 109.327 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -93.46 172.99 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 63.14 110.288 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.924 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.3 t80 -74.05 -12.37 60.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 71.45 110.98 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.4 t -90.6 -45.63 8.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.21 109.993 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 11.6 mt-10 -69.36 -52.16 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 74.12 110.278 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -52.83 -44.38 66.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.44 111.011 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.792 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.79 -34.29 75.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 74.42 109.255 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.37 62.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 71.21 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.96 HD21 ' SD ' ' A' ' 471' ' ' MET . 6.0 tp -62.7 -52.97 61.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 65.13 109.316 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -59.81 -13.34 10.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 74.55 110.975 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.3 t -126.46 29.42 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 65.03 110.003 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.12 110.318 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.242 -0.651 . . . . 43.42 109.242 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -58.58 -35.8 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 60.22 109.291 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.562 ' HA ' ' HZ2' ' A' ' 90' ' ' LYS . 5.5 mm-40 -70.23 -56.58 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 65.12 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -63.0 -15.46 56.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 73.35 109.255 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 26.5 t80 -81.99 -42.61 19.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 52.43 110.96 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.562 ' HZ2' ' HA ' ' A' ' 87' ' ' GLU . 13.6 pttp -82.35 -23.24 35.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 74.34 109.309 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -74.19 -44.08 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.43 109.301 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.861 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 1.7 m-85 -67.93 -38.64 83.12 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.609 1.671 . . . . 74.41 110.977 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.3 OUTLIER -72.76 103.83 3.78 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.896 -1.049 . . . . 62.32 109.972 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 -34.64 19.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 71.34 109.318 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.25 -45.98 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.34 109.269 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.24 78.64 1.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 72.24 111.007 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.607 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.58 11.53 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 75.2 109.265 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.878 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.44 18.41 75.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.123 . . . . 54.41 111.007 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.5 mt -150.02 110.84 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 65.33 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.59 HD13 ' CB ' ' A' ' 92' ' ' PHE . 53.5 mt -74.95 102.98 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 61.34 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.0 t -68.07 175.99 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 64.35 109.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.64 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -48.45 -69.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 74.11 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 105' ' ' LEU . . . -42.57 -64.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 52.43 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.41 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 35.8 mt-10 -39.3 -28.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 73.34 110.302 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.683 HD13 HD11 ' A' ' 135' ' ' ILE . 3.3 tp -91.27 -72.4 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 71.04 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.881 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.9 -61.01 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 70.42 109.303 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.567 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.67 -42.94 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 63.15 109.546 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.861 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.2 t -65.85 -42.2 91.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 54.14 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.536 HD22 HG12 ' A' ' 108' ' ' VAL . 3.3 mm? -69.65 -20.79 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 55.33 109.318 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' LYS . 86.5 m -84.24 -12.7 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 73.3 110.385 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.781 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -82.11 -6.92 59.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 74.14 109.957 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.081 HG21 HD11 ' A' ' 465' ' ' ILE . 10.3 pt -112.18 -32.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 71.23 109.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.47 -31.44 0.94 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 70.33 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.422 ' HG3' ' CD ' ' A' ' 461' ' ' LYS . 5.1 mm-40 -63.67 104.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 73.23 110.31 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -102.64 91.9 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.13 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 120' ' ' GLU . 60.8 mt -104.57 141.8 35.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 72.2 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.5 p -76.13 -174.61 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 61.42 110.387 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -76.98 -18.2 58.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 63.24 109.311 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.72 -37.12 14.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 64.41 109.324 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.772 ' HB3' HD22 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -71.24 -31.37 67.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.12 110.285 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.881 HG21 ' HG2' ' A' ' 106' ' ' LYS . 9.0 p -83.87 -52.02 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 72.32 109.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.615 ' HA ' HD12 ' A' ' 125' ' ' LEU . 6.8 t70 -52.42 -20.87 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 74.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -90.62 -28.67 18.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 72.14 109.309 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.54 ' SD ' HD21 ' A' ' 105' ' ' LEU . 21.5 ttm -73.87 -32.53 63.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 73.22 110.985 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 122' ' ' ASP . 8.6 mt -65.02 -53.83 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 74.55 109.306 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' LEU . 19.7 mtt-85 -37.42 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 61.11 110.323 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 125' ' ' LEU . 74.4 mt-10 -46.36 -50.43 16.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.02 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.468 HG11 ' CB ' ' A' ' 142' ' ' ALA . 24.7 m -132.14 13.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 61.52 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.2 p -98.76 7.99 45.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 55.21 110.043 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 32.9 t70 39.57 42.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 72.41 109.313 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.29 46.6 92.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 34.21 111.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' SER . 31.8 t -104.27 -76.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 74.45 109.96 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.421 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 149.85 -16.92 1.08 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 75.1 111.001 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.448 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 22.6 mt-10 -136.66 160.11 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 63.41 110.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.683 HD11 HD13 ' A' ' 105' ' ' LEU . 2.2 pt -127.62 124.27 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 73.03 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.641 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -90.73 -179.13 5.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 74.22 109.334 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.92 HG23 ' OE1' ' A' ' 138' ' ' GLN . 3.0 tp -54.35 -19.06 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 71.25 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.92 ' OE1' HG23 ' A' ' 137' ' ' ILE . 13.9 mm100 -87.98 -52.1 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 75.42 110.267 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.689 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 23.1 mt-30 -69.36 -57.45 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 74.45 110.302 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.413 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 38.4 t80 -41.27 -53.67 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 75.2 111.022 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 1.019 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -51.14 -37.4 45.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.41 109.33 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -45.55 -43.62 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 64.02 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.3 mt -62.71 -44.11 97.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 74.11 109.362 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.876 HD12 HD22 ' A' ' 85' ' ' LEU . 7.5 mt -86.71 11.3 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 75.25 109.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 141' ' ' ALA . 17.1 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 62.25 109.977 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . 0.482 ' CZ ' ' OE1' ' A' ' 127' ' ' GLU . 1.1 mmt85 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.335 -0.246 . . . . 72.14 110.335 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -12.79 59.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.3 109.316 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -84.45 -16.57 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 71.43 109.337 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -53.73 26.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 53.31 109.314 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -59.53 -34.63 72.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 70.45 110.276 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.596 ' HA ' HD12 ' A' ' 463' ' ' LEU . 11.8 t30 -57.65 -46.25 84.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 53.1 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.653 ' O ' HD12 ' A' ' 465' ' ' ILE . 3.1 ttmt -48.24 -32.43 7.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 72.13 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.645 HG23 ' HE1' ' A' ' 92' ' ' PHE . 17.9 mt -86.46 -33.26 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 74.22 109.284 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 460' ' ' ASN . 74.8 mt -48.99 -44.86 41.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 62.52 109.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 1.004 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -73.48 -58.01 3.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 61.33 109.307 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.081 HD11 HG21 ' A' ' 112' ' ' ILE . 13.4 mt -43.15 -30.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 74.02 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.84 -72.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 63.43 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.468 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 15.1 mmtt -36.6 -68.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 73.13 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.723 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 21.1 t -40.0 -44.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 63.01 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 466' ' ' ALA . 8.7 t -66.47 -68.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 74.14 109.991 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.471 ' HD3' ' CG2' ' A' ' 474' ' ' VAL . 0.2 OUTLIER -36.22 -47.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 72.1 110.309 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.96 ' SD ' HD21 ' A' ' 71' ' ' LEU . 27.6 mtp -47.59 -48.07 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 73.21 111.014 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 43' ' ' PRO . 14.3 t80 -55.54 -28.79 56.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 73.12 111.041 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.3 t -79.84 -19.94 47.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 73.54 110.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.471 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 59.0 t -87.5 -54.09 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 72.31 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -39.57 -31.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 70.34 109.252 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 73.21 110.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.7 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.421 -0.215 . . . . 75.0 110.421 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -42.01 -38.58 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 54.15 110.268 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.19 -44.86 82.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 73.15 110.291 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 5' ' ' THR . 18.1 mm100 -57.81 -29.12 64.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 73.33 110.304 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.776 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 1.1 mm -73.65 -22.96 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.04 109.291 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.3 -13.02 59.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 50.34 109.258 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 12.4 mm-40 -75.5 -69.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 74.2 110.303 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 49.4 m-85 -43.77 -26.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.3 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -51.96 -47.04 64.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 65.42 109.286 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.546 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 7.8 mm-40 -65.52 -49.12 70.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 64.22 110.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -60.06 -17.15 37.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 75.31 109.306 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 1.8 t80 -79.36 -40.5 30.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 73.44 111.01 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.98 68.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 70.32 109.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.902 HD21 ' HG2' ' A' ' 461' ' ' LYS . 63.2 mt -40.11 -41.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 61.33 109.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.759 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 6.3 m-85 -110.7 -53.05 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 63.23 111.045 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -53.31 90.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 73.1 109.316 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' PHE . 33.3 mmtt -68.3 -67.05 0.49 Allowed 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 123.615 1.674 . . . . 74.34 109.273 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -74.36 -5.99 45.55 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.88 -1.057 . . . . 63.22 109.977 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 50.46 55.88 8.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 74.32 109.332 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.7 p30 -88.11 -22.13 24.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 64.41 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.82 32.6 3.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 61.33 111.019 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.6 p -168.83 112.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 72.45 110.022 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 19' ' ' PHE . 74.4 mt -91.12 101.83 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 74.12 109.323 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 p -64.02 165.14 9.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 74.03 110.014 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -16.17 62.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 71.12 109.95 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.79 -25.05 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 54.41 110.023 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -90.63 -31.45 16.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 63.22 110.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.976 HD22 HG13 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -72.01 -45.81 59.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 64.2 109.281 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.687 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -74.13 -12.64 60.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 60.54 109.35 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -23.31 62.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 71.2 110.39 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.533 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -91.49 -56.54 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 65.1 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.59 ' HE2' HD13 ' A' ' 41' ' ' LEU . 60.1 mtp -42.11 -50.08 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 74.1 111.008 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -65.17 -34.65 78.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 71.35 110.282 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' VAL . 7.2 p -60.98 -17.53 52.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 73.54 110.015 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.893 HD13 HG23 ' A' ' 465' ' ' ILE . 17.1 mt -91.98 -15.96 27.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 73.33 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.84 7.3 8.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.153 . . . . 55.34 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.59 HD13 ' HE2' ' A' ' 36' ' ' MET . 8.3 mt -86.95 -177.54 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 65.34 109.286 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -163.94 60.87 0.89 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 72.01 109.99 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.1 Cg_endo -75.01 139.39 24.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 74.5 110.997 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.35 140.09 38.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 53.24 109.995 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -53.11 -27.52 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 70.21 110.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.81 76.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 64.04 109.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.587 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.3 mt-10 -75.32 -50.03 17.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 71.25 110.334 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.976 HG13 HD22 ' A' ' 32' ' ' LEU . 39.1 t -39.81 -42.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 74.35 109.255 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.432 ' C ' ' N ' ' A' ' 51' ' ' LEU . 90.5 m-20 -68.21 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 51.55 109.274 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.763 ' OD1' HD13 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -47.57 -23.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 63.21 109.308 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 471' ' ' MET . 0.0 OUTLIER -77.97 -68.16 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 61.44 109.293 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.535 ' HB2' HD11 ' A' ' 63' ' ' ILE . 9.1 ptm -60.39 -12.3 9.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 65.24 110.979 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 1.1 m-80 -77.66 -7.63 56.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 73.52 109.277 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -96.18 -15.59 21.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 64.45 110.262 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.64 HD12 HD12 ' A' ' 71' ' ' LEU . 3.4 mm -106.2 -46.18 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 72.52 109.317 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 7.0 t0 -38.14 117.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 32.03 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -89.73 -19.17 7.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 123.577 1.656 . . . . 75.04 109.266 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 41.2 p-10 -108.25 -5.91 16.61 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.913 -1.041 . . . . 75.41 109.951 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.484 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 52.28 42.93 56.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 65.12 111.025 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 35.3 p-10 -95.05 12.27 29.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 72.43 109.313 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.651 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 37.1 t60 65.85 30.48 9.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 72.2 109.605 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 53.2 mt-30 -153.77 -179.93 8.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 62.32 110.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.535 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -128.57 129.49 68.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 73.24 109.294 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 5.1 mt-10 -94.69 175.42 6.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 74.32 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.776 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 2.2 t80 -73.63 -12.88 60.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 64.21 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.0 m -92.37 -46.81 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 72.44 109.982 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.2 -47.59 76.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 73.51 110.301 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -57.98 -40.52 80.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 75.42 110.998 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.74 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -74.05 -30.16 62.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 62.22 109.309 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.72 -15.65 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 74.24 109.337 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.64 HD12 HD12 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -70.42 -49.57 47.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 73.32 109.292 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.526 ' HE1' ' HB2' ' A' ' 467' ' ' LYS . 6.5 mmt -59.43 -31.6 69.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 75.34 111.035 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.5 p -91.15 17.39 8.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 52.04 109.961 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 73.5 110.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.036 HD22 HD12 ' A' ' 144' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 65.35 109.313 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 87' ' ' GLU . 2.8 pp -65.94 -46.1 79.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 75.42 109.307 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.528 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 22.2 mm-40 -57.58 -35.13 69.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 74.33 110.345 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.898 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -85.34 -25.74 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 74.33 109.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HA ' HD11 ' A' ' 100' ' ' ILE . 14.0 t80 -64.14 -62.7 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 72.22 110.978 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -62.97 -37.33 86.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 72.21 109.34 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 2.1 t -54.17 -59.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 62.34 109.336 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.937 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.8 m-85 -59.76 -44.54 93.8 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 123.613 1.673 . . . . 71.31 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -69.86 99.73 1.43 Allowed 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.893 -1.051 . . . . 72.31 110.001 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -31.16 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 74.4 109.322 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -77.39 -44.74 28.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 72.51 109.286 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.61 78.86 1.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 73.11 111.014 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.668 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.0 11.36 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 64.13 109.31 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.728 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.09 15.47 72.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.087 . . . . 14.4 110.973 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.1 mt -147.59 111.5 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 73.21 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.618 HD13 ' CB ' ' A' ' 92' ' ' PHE . 64.9 mt -76.13 102.07 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 53.35 109.257 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.0 t -65.98 175.2 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 73.11 109.966 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -49.7 -67.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 54.54 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -42.21 -65.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 74.02 109.277 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ALA . 35.3 mt-10 -38.91 -28.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 72.15 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.897 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -90.94 -72.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 70.42 109.31 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.605 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.35 -58.72 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 74.24 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.651 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.97 -39.07 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.33 109.58 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.937 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -69.87 -56.25 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 71.42 109.326 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.467 HD12 ' CB ' ' A' ' 114' ' ' GLU . 3.6 mm? -49.32 -32.75 11.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 74.03 109.333 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.2 m -78.4 -27.75 46.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 73.24 110.416 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.724 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -64.95 -11.51 39.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 73.33 109.959 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.058 HG21 HD11 ' A' ' 465' ' ' ILE . 17.0 pt -112.65 -33.29 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 74.4 109.265 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 115' ' ' LYS . . . 153.68 -35.6 0.74 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 35.01 111.011 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.467 ' CB ' HD12 ' A' ' 109' ' ' LEU . 4.5 mm-40 -59.05 108.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 71.21 110.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 113' ' ' GLY . 16.6 mttt -109.82 91.1 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 73.23 109.294 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' ' 120' ' ' GLU . 4.8 mp -98.78 142.64 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 63.25 109.312 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.5 p -72.44 153.32 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 71.41 110.395 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -51.33 -22.7 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 54.14 109.328 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.21 -40.56 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 74.25 109.283 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.672 ' HB3' HD23 ' A' ' 116' ' ' LEU . 21.9 mm-40 -63.96 -47.02 82.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 73.14 110.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.605 HG21 ' HG2' ' A' ' 106' ' ' LYS . 2.3 p -65.67 -50.06 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 61.01 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.517 ' HA ' HD12 ' A' ' 125' ' ' LEU . 7.8 t70 -48.92 -23.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 71.44 109.239 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.06 -34.32 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 62.24 109.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' VAL . 6.0 tpp -61.21 -39.1 88.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 75.23 111.001 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 122' ' ' ASP . 2.5 mt -63.57 -57.35 10.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 73.12 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 125' ' ' LEU . 24.3 mtt-85 -37.36 -30.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 74.33 110.272 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 125' ' ' LEU . 97.1 mt-10 -46.49 -50.87 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 71.14 110.301 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 22.1 m -132.37 14.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 75.33 109.274 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.2 p -99.96 8.77 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.23 110.033 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 129' ' ' SER . 26.2 t0 38.91 46.58 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 62.44 109.293 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.1 46.95 68.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 74.1 111.034 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' SER . 30.1 t -104.65 -77.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 73.1 109.965 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 151.58 -18.33 0.88 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 73.4 111.02 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 21.8 mt-10 -135.25 157.97 45.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 75.42 110.362 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.897 HD11 ' CD1' ' A' ' 105' ' ' LEU . 5.5 pt -127.24 127.37 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 72.42 109.309 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.629 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -93.91 177.72 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 70.24 109.317 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.449 ' CD1' HD12 ' A' ' 85' ' ' LEU . 10.7 tp -49.61 -22.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 74.23 109.341 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 136' ' ' ASN . 4.4 mm-40 -83.78 -55.75 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 53.42 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.716 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 19.9 mt-30 -68.28 -57.09 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 73.13 110.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.451 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 44.5 t80 -41.43 -52.72 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 74.3 110.998 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.985 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -56.19 -36.22 68.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 74.35 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -45.48 -34.48 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 63.23 109.287 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.412 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.1 mt -68.92 -46.63 67.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 54.34 109.314 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.036 HD12 HD22 ' A' ' 85' ' ' LEU . 2.9 mt -69.74 -8.04 44.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 72.02 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 72.22 110.002 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 26.8 mmt-85 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.309 -0.256 . . . . 75.43 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.402 ' NZ ' ' CB ' ' A' ' 456' ' ' LYS . 0.0 OUTLIER -83.91 -21.31 31.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 73.31 109.275 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . 0.546 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -91.91 -16.1 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 61.01 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -53.18 7.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 75.13 109.34 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 460' ' ' ASN . 4.0 ptp180 -61.23 -38.22 85.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 73.01 110.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.617 ' HA ' HD12 ' A' ' 463' ' ' LEU . 10.0 t30 -58.39 -34.01 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 64.55 109.291 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.902 ' HG2' HD21 ' A' ' 18' ' ' LEU . 6.7 ttmt -56.82 -28.43 61.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 71.03 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.704 HG23 ' HE1' ' A' ' 92' ' ' PHE . 23.1 mt -89.79 -41.93 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 71.45 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 460' ' ' ASN . 92.7 mt -40.55 -38.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 74.2 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.496 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -76.6 -58.1 3.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 63.11 109.342 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.058 HD11 HG21 ' A' ' 112' ' ' ILE . 9.0 mt -41.2 -29.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 72.31 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.898 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -81.33 -72.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 70.45 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.526 ' HB2' ' HE1' ' A' ' 72' ' ' MET . 3.9 mttm -49.44 -61.34 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.21 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.759 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 75.8 t -38.87 -37.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 73.15 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.75 -54.29 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 75.54 109.981 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.1 OUTLIER -51.21 -39.94 57.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 73.54 110.296 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.805 ' HB3' HD11 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -45.56 -33.94 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 74.25 111.022 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 28.9 t80 -87.16 -24.24 24.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 74.44 111.005 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 470' ' ' ARG . 43.8 t -88.31 -5.31 58.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 53.13 110.007 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 475' ' ' LEU . 14.8 p -107.1 -46.61 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 50.02 109.28 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.763 HD13 ' OD1' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -40.03 -35.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 61.24 109.31 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 72.12 110.265 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 8.0 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.413 -0.217 . . . . 73.13 110.413 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -44.21 -38.87 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.31 110.338 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.71 -38.29 88.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 72.31 110.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.521 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 20.9 mm100 -68.29 -31.65 71.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 61.21 110.31 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.625 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 3.8 mm -64.97 -22.84 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 53.41 109.32 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.07 -12.71 49.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 63.54 109.318 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 77.0 mt-10 -76.48 -57.72 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.15 110.278 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 26.2 m-85 -58.92 -14.63 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.51 110.971 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.467 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 12.5 mtmt -61.98 -28.56 69.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 74.02 109.338 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -79.92 -52.18 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 62.55 110.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.842 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -56.82 -17.69 10.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 73.42 109.26 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.3 t80 -78.73 -40.08 34.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 72.21 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -19.41 59.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 74.13 109.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.649 ' CD2' HD12 ' A' ' 112' ' ' ILE . 54.4 mt -50.69 -40.83 54.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.44 109.299 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 4.5 m-85 -110.05 -34.76 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 74.23 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -69.69 84.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.5 109.284 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.669 ' HE3' HG21 ' A' ' 34' ' ' THR . 24.4 mmtt -62.06 -66.86 0.47 Allowed 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 123.656 1.693 . . . . 75.42 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.455 ' OD1' ' CB ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.65 -8.93 58.03 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.854 -1.07 . . . . 62.23 109.963 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 54.0 57.78 5.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 71.31 109.304 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.455 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . 10.8 p30 -91.92 -20.01 21.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 74.35 109.277 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.41 34.69 3.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 63.45 110.98 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 p -168.71 112.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 0.755 . . . . 63.43 110.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.535 HD13 ' HB2' ' A' ' 19' ' ' PHE . 59.7 mt -94.39 100.41 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 61.41 109.256 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 p -65.58 162.31 18.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 34.44 110.0 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 t -57.45 -17.07 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.22 110.022 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.2 -22.66 21.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 72.22 109.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -90.39 -30.0 17.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.43 110.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.964 HD22 HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -75.08 -49.27 20.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 74.12 109.319 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.717 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -70.69 -12.37 61.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 71.15 109.29 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.669 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -68.39 -24.08 64.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 52.44 110.369 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.1 t -91.45 -61.79 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 71.04 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.526 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 98.9 mtp -39.03 -57.65 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 75.13 111.041 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -51.97 -41.44 62.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 64.15 110.33 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' VAL . 6.2 p -55.56 -36.56 66.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 74.12 109.979 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.927 HD13 HG23 ' A' ' 465' ' ' ILE . 17.8 mt -68.55 -21.3 64.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 62.35 109.296 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.02 2.13 8.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 64.15 110.977 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -79.01 -177.16 5.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 72.24 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.488 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 27.9 t -162.32 60.15 1.04 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 21.23 109.976 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.05 140.81 25.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 53.34 111.005 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -81.57 140.22 34.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 72.12 109.996 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -52.75 -27.26 17.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 62.43 110.297 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.67 -49.41 75.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 64.2 109.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 49' ' ' ASN . 1.9 mt-10 -74.94 -51.62 13.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 74.23 110.277 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.964 HG13 HD22 ' A' ' 32' ' ' LEU . 54.6 t -40.18 -29.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 73.44 109.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 47' ' ' GLU . 83.4 m-20 -76.1 -67.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 52.43 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -46.62 -24.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 75.44 109.321 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.886 ' HB2' HD22 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -76.37 -68.58 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 71.2 109.287 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.466 ' HB2' HD11 ' A' ' 63' ' ' ILE . 8.5 ptm -61.24 -11.8 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 60.4 110.962 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -78.38 -7.83 57.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 71.1 109.314 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.604 ' C ' HD13 ' A' ' 55' ' ' ILE . 12.8 mm-40 -95.45 -11.89 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 60.44 110.316 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.719 HG21 ' HB2' ' A' ' 71' ' ' LEU . 1.3 mm -107.97 -49.48 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 64.31 109.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 6.5 t0 -39.18 119.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 75.42 109.272 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.606 HG23 ' HG2' ' A' ' 67' ' ' GLU . 73.2 t -86.38 -27.88 6.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 123.592 1.663 . . . . 55.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.9 p-10 -100.77 -6.67 24.6 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.892 -1.052 . . . . 70.34 109.998 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.499 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.9 42.28 79.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 54.51 111.027 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.405 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 32.9 p-10 -92.68 11.66 25.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 74.11 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.661 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 38.2 t60 66.03 33.28 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 73.53 109.586 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 51.3 mt-30 -156.07 165.06 37.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 71.31 110.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.466 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -114.69 128.77 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 60.44 109.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.463 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -95.93 175.93 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 71.53 110.278 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.625 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 2.3 t80 -71.28 -13.14 61.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 71.3 110.99 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -91.8 -43.36 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 73.31 109.979 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.606 ' HG2' HG23 ' A' ' 57' ' ' VAL . 26.7 mt-10 -69.05 -52.35 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 60.31 110.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -52.5 -44.32 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 72.55 111.006 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.793 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -69.91 -34.45 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 74.14 109.33 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.84 -15.64 60.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 73.41 109.326 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.719 ' HB2' HG21 ' A' ' 55' ' ' ILE . 36.6 tp -75.28 -46.29 34.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 72.55 109.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.424 ' CE ' ' HD3' ' A' ' 467' ' ' LYS . 2.4 mmt -48.08 -36.96 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 63.22 110.998 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.3 p -76.09 -28.06 57.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 73.42 109.955 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 73.4 110.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.927 ' HG ' HD12 ' A' ' 144' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.32 -0.622 . . . . 70.1 109.32 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -40.49 -36.25 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 73.53 109.312 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.619 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.1 mm-40 -73.13 -48.94 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 72.21 110.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.674 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -67.94 -16.28 63.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 64.03 109.335 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 85' ' ' LEU . 12.4 t80 -73.75 -64.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 74.12 110.991 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -65.5 -30.24 70.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 32.15 109.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 87' ' ' GLU . 5.9 t -61.43 -54.67 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 74.43 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.937 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.9 m-85 -65.0 -45.89 83.72 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.62 1.676 . . . . 70.04 111.016 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.19 98.77 0.83 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.906 -1.045 . . . . 74.23 109.968 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.94 -29.25 22.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 65.33 109.285 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.444 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -79.09 -42.95 25.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 63.24 109.299 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.58 77.46 1.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 63.41 110.987 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.741 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -137.26 8.84 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 71.21 109.329 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.457 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 71.55 11.61 72.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 71.45 111.027 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.758 HD23 ' HB3' ' A' ' 136' ' ' ASN . 2.2 mt -144.28 113.74 7.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 71.42 109.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.554 HD13 ' CB ' ' A' ' 92' ' ' PHE . 57.1 mt -76.8 104.84 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 72.01 109.282 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.4 t -67.37 -175.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 63.31 109.956 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.49 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -56.91 -70.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 72.33 109.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.82 -66.22 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 62.2 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.408 ' OE2' ' HA ' ' A' ' 100' ' ' ILE . 33.9 mt-10 -38.32 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 75.3 110.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.763 HD13 HD11 ' A' ' 135' ' ' ILE . 3.9 tp -89.73 -71.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 71.23 109.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.844 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -47.25 -60.66 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 73.32 109.332 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.607 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.56 -41.43 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 52.42 109.602 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.937 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.3 t -67.07 -42.97 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 72.35 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.611 HD12 ' CB ' ' A' ' 114' ' ' GLU . 2.5 mm? -60.93 -38.21 85.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 73.13 109.259 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.5 m -77.54 -27.05 51.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 71.54 110.413 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -65.13 -12.45 51.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 75.43 110.022 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.829 HG21 HD11 ' A' ' 465' ' ' ILE . 12.0 pt -112.8 -32.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 75.42 109.332 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 154.92 -35.35 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 63.13 111.023 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.611 ' CB ' HD12 ' A' ' 109' ' ' LEU . 7.7 mm-40 -61.05 106.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 70.01 110.287 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -103.8 95.46 6.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 70.51 109.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 120' ' ' GLU . 3.9 mp -107.77 142.31 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 74.44 109.265 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.453 HG23 ' OE1' ' A' ' 120' ' ' GLU . 13.7 p -74.15 152.34 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 74.31 110.39 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.442 ' HA ' HG12 ' A' ' 121' ' ' VAL . 1.1 m-20 -51.92 -21.81 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 70.22 109.295 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.38 -34.62 23.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 72.42 109.299 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.666 ' HB3' HD23 ' A' ' 116' ' ' LEU . 47.3 mt-10 -73.33 -29.68 62.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 75.11 110.321 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.844 HG21 ' HG2' ' A' ' 106' ' ' LYS . 9.9 p -81.88 -52.93 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 45.11 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.529 ' N ' HG13 ' A' ' 121' ' ' VAL . 10.2 t70 -49.79 -23.04 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 72.42 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.02 -31.89 16.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 71.31 109.328 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.517 ' HE3' HD22 ' A' ' 116' ' ' LEU . 34.1 ttm -64.65 -37.75 88.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 73.53 111.016 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.49 HD11 ' HA ' ' A' ' 102' ' ' ALA . 12.7 mt -64.56 -56.92 10.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 64.53 109.317 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -38.26 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 54.04 110.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 125' ' ' LEU . 15.0 mm-40 -49.15 -50.58 36.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 71.32 110.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.432 HG21 ' HB3' ' A' ' 142' ' ' ALA . 16.7 m -132.75 17.55 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 74.53 109.255 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.5 p -102.67 2.32 35.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 72.12 109.99 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.2 t0 45.15 48.36 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 74.34 109.277 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 49.28 36.23 22.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 55.34 110.975 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 129' ' ' SER . 94.4 p -88.05 -72.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 73.21 110.032 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.64 -16.58 1.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 70.23 111.012 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.7 mt-10 -141.57 170.11 16.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 71.23 110.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.763 HD11 HD13 ' A' ' 105' ' ' LEU . 3.8 pt -135.88 122.44 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.04 109.291 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.758 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -93.06 175.84 6.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 72.53 109.318 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 137' ' ' ILE . 7.3 tp -46.97 -24.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 73.33 109.308 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -81.55 -58.07 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 54.55 110.306 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.618 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 23.6 mt-30 -66.06 -58.29 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 54.31 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' ASN . 9.4 t80 -43.21 -48.76 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 73.04 111.051 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.644 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -53.24 -36.55 61.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 72.11 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -45.35 -49.18 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 33.1 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -42.95 91.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 71.24 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.927 HD12 ' HG ' ' A' ' 85' ' ' LEU . 1.4 mt -74.18 -3.41 29.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.21 109.266 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 70.41 110.017 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 35.2 mmt-85 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.301 -0.259 . . . . 73.01 110.301 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.452 ' HA ' ' NH2' ' A' ' 459' ' ' ARG . 0.1 OUTLIER -77.79 -21.78 51.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 70.45 109.306 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.15 -16.12 28.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 61.41 109.264 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.5 OUTLIER -69.02 -42.33 76.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 75.03 109.27 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.487 ' O ' HD13 ' A' ' 463' ' ' LEU . 1.9 ptp85 -76.25 -26.91 56.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 75.44 110.321 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.495 ' HA ' HD22 ' A' ' 463' ' ' LEU . 14.4 t30 -66.19 -31.2 71.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 74.21 109.339 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.66 ' HG2' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -54.91 -26.87 38.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 60.25 109.28 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.751 HG23 ' HE1' ' A' ' 92' ' ' PHE . 8.5 mt -89.61 -37.65 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 71.15 109.332 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 460' ' ' ASN . 5.0 mp -40.88 -48.82 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 72.43 109.308 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.842 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -69.73 -59.58 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 75.24 109.343 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 0.927 HG23 HD13 ' A' ' 39' ' ' LEU . 76.3 mt -39.91 -30.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 75.23 109.281 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.674 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.49 -72.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 70.33 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 470' ' ' ARG . 22.4 mttm -39.8 -67.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 73.03 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.564 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 35.3 t -45.09 -51.21 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 71.43 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 10.9 t -55.88 -31.7 63.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 72.2 109.998 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -76.72 -40.14 49.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 62.52 110.305 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.609 ' HB3' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -47.81 -22.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 72.44 110.974 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.526 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 18.0 t80 -92.22 -28.21 17.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 73.04 111.038 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 470' ' ' ARG . 9.9 t -87.1 -1.86 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 52.34 110.01 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.421 ' HB ' ' CD ' ' A' ' 470' ' ' ARG . 12.2 p -109.08 -46.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 62.12 109.283 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.886 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -42.23 -33.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 72.35 109.281 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 71.35 110.279 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.434 -0.21 . . . . 62.24 110.434 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 7' ' ' GLU . 11.9 pt-20 -40.97 -40.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.03 110.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 1.9 tp10 -62.86 -52.55 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 73.33 110.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.502 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 8.6 mm100 -49.91 -30.36 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 61.24 110.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.917 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.2 mm -71.79 -35.3 54.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 70.21 109.272 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.33 -12.62 60.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 71.25 109.309 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.795 ' HB3' ' HZ3' ' A' ' 456' ' ' LYS . 89.0 mt-10 -74.3 -61.04 2.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 62.11 110.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 24.5 m-85 -59.9 -14.05 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 75.34 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 1.1 mttt -64.93 -22.27 66.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 72.23 109.284 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.58 -57.79 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 44.04 110.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.038 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -52.96 -20.96 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 60.43 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.481 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.9 t80 -75.66 -39.03 58.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 70.41 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -28.01 66.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 71.42 109.307 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.975 HD21 ' HG3' ' A' ' 461' ' ' LYS . 65.5 mt -43.17 -39.75 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 71.35 109.316 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HZ ' HG11 ' A' ' 468' ' ' VAL . 5.2 m-85 -110.44 -45.85 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 75.11 111.024 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.481 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -58.8 86.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 74.41 109.272 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HE3' HG21 ' A' ' 34' ' ' THR . 63.7 mmtt -65.79 -67.28 0.46 Allowed 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.62 1.676 . . . . 73.23 109.352 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -73.92 -12.95 60.81 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.875 -1.059 . . . . 70.43 109.965 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.4 m120 57.73 62.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 61.33 109.316 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.3 p30 -97.03 -22.01 17.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 73.12 109.345 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.83 33.79 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 72.32 111.028 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.98 111.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 75.54 109.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 19' ' ' PHE . 75.4 mt -91.83 101.19 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 62.4 109.328 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -68.07 165.76 17.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 72.52 110.005 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' HG11 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -61.22 -15.46 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 52.42 110.033 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.7 -24.93 22.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 65.02 110.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -90.73 -29.9 17.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 53.53 110.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.04 HD22 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -74.82 -48.78 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 72.12 109.345 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.656 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -69.88 -12.37 61.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 74.44 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.512 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -69.95 -25.53 63.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 63.3 110.379 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.524 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.0 t -91.49 -62.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 63.11 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.471 ' HE1' ' HB2' ' A' ' 472' ' ' PHE . 90.3 mtp -41.64 -46.34 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.31 111.001 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.4 ptm180 -62.36 -43.54 98.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 73.54 110.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 25.6 m -56.13 -35.66 67.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 64.11 109.98 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.04 HD13 HG23 ' A' ' 465' ' ' ILE . 4.0 mt -69.96 -22.34 63.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 70.32 109.331 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.32 -4.9 8.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 50.43 111.004 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 36' ' ' MET . 15.2 mt -70.06 177.33 3.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 64.41 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.527 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 16.0 p -157.56 58.17 1.42 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 62.41 109.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.572 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.5 Cg_endo -74.92 114.01 3.93 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.538 1.809 . . . . 71.5 111.043 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.67 140.58 54.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 73.02 109.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -46.3 -28.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 73.44 110.26 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.34 77.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 54.33 109.288 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.5 mm-40 -74.77 -49.92 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.03 110.256 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.04 HG13 HD22 ' A' ' 32' ' ' LEU . 53.4 t -41.11 -39.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 63.51 109.313 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' ASN . 93.0 m-20 -65.41 -61.23 2.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 74.35 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.0 -16.1 11.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 71.44 109.273 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.5 tm? -82.18 -51.26 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 64.12 109.271 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.403 ' HB3' HD13 ' A' ' 32' ' ' LEU . 6.3 ptm -79.06 -13.33 59.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 70.41 110.98 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 6.4 m-80 -85.27 -8.77 58.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 74.41 109.324 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.59 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.3 mm-40 -85.94 -12.24 51.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 63.21 110.295 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.634 HD12 ' CD1' ' A' ' 71' ' ' LEU . 2.0 mm -117.83 -39.78 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 71.43 109.339 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 2.6 t0 -38.92 119.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 73.51 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 67' ' ' GLU . 2.6 p -93.04 -31.55 4.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 CA-C-O 123.615 1.674 . . . . 74.14 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 49.7 p30 -92.51 -7.32 47.67 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.946 -1.026 . . . . 70.31 110.022 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.34 42.08 88.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 63.43 111.028 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.409 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 39.4 p-10 -96.97 10.22 39.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 74.43 109.268 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.72 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 17.1 t60 66.83 32.26 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 70.02 109.639 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 42.7 mt-30 -152.96 -175.86 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 65.13 110.32 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.18 126.19 58.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 60.22 109.286 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -93.52 177.92 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 52.44 110.295 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.917 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 4.2 t80 -76.01 -13.3 60.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 50.11 110.987 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 p -90.43 -44.26 9.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 53.31 109.998 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG2' ' CG1' ' A' ' 57' ' ' VAL . 10.3 mt-10 -70.29 -53.17 17.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 71.04 110.295 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -51.81 -45.38 63.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.35 111.016 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.726 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.22 -31.8 69.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 72.13 109.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.68 -16.43 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 31.04 109.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.634 ' CD1' HD12 ' A' ' 55' ' ' ILE . 5.0 tp -73.74 -50.91 18.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 74.34 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.463 ' SD ' ' CD ' ' A' ' 467' ' ' LYS . 6.2 mmt -56.05 -42.61 76.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 75.01 111.011 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.1 p -82.18 6.06 17.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 73.41 110.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.41 110.282 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.881 ' HB3' HD11 ' A' ' 137' ' ' ILE . 7.8 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.28 -0.637 . . . . 55.13 109.28 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 87' ' ' GLU . 2.8 pp -57.76 -46.91 83.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 72.41 109.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.551 ' N ' HD12 ' A' ' 86' ' ' LEU . 36.2 mm-40 -51.58 -44.89 62.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 71.32 110.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -80.5 -24.63 39.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 72.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.9 t80 -66.04 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 71.1 110.99 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -60.95 -31.34 70.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 75.53 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.3 t -62.7 -54.72 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 75.43 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.949 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.2 m-85 -64.39 -41.7 96.52 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.659 1.695 . . . . 70.21 111.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.426 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.3 OUTLIER -71.9 101.93 2.78 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.927 -1.035 . . . . 74.34 109.995 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 -33.27 19.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 61.34 109.297 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.61 -44.97 32.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 74.41 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.04 78.58 1.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 75.2 111.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.606 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.44 11.34 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 72.44 109.306 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.869 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.97 18.45 74.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 75.42 111.001 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -150.03 110.92 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 70.25 109.268 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.59 HD13 ' CB ' ' A' ' 92' ' ' PHE . 57.4 mt -75.58 104.12 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 73.02 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.1 p -69.66 173.27 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 74.12 110.015 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.594 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -44.67 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 60.44 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.75 -66.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 64.13 109.282 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 33.5 mt-10 -37.94 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 60.15 110.281 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.834 HD23 HG23 ' A' ' 121' ' ' VAL . 3.0 tp -89.99 -72.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 70.31 109.304 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.595 ' CB ' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -46.57 -60.02 2.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 73.14 109.269 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.667 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.22 -41.5 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 72.32 109.564 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.949 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -68.6 -41.81 83.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 73.34 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' LYS . 0.7 OUTLIER -61.44 -38.15 86.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 50.2 109.283 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.0 m -81.28 -10.17 59.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 72.12 110.38 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.89 0.07 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 70.22 109.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.973 HG21 HD11 ' A' ' 465' ' ' ILE . 2.6 pt -112.72 -33.05 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 72.11 109.298 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.422 ' N ' HG13 ' A' ' 112' ' ' ILE . . . 150.25 -42.51 0.77 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 73.11 111.025 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.979 ' OE1' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -52.04 173.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 73.43 110.267 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 114' ' ' GLU . 14.4 mtmm -154.72 116.96 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 64.23 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.979 HD13 ' OE1' ' A' ' 114' ' ' GLU . 1.5 mp -125.85 138.34 53.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 75.01 109.329 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' GLU . 21.5 p -66.64 147.73 52.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 62.4 110.388 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.37 -21.79 3.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 73.11 109.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.72 -27.98 20.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 74.41 109.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' THR . 20.0 mm-40 -73.68 -47.92 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 72.42 110.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.834 HG23 HD23 ' A' ' 105' ' ' LEU . 11.6 p -67.07 -53.91 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 71.52 109.291 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.549 ' N ' HG13 ' A' ' 121' ' ' VAL . 8.8 t70 -50.74 -21.96 1.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 61.15 109.281 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -90.71 -31.93 16.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 53.21 109.302 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.515 ' SD ' HD21 ' A' ' 105' ' ' LEU . 14.3 ttm -63.21 -30.88 71.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 73.32 111.017 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' A' ' 102' ' ' ALA . 13.1 mt -65.95 -52.5 49.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 73.44 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' LEU . 37.9 mtt180 -37.87 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 64.25 110.288 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 89.6 mt-10 -48.86 -50.3 35.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.33 110.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.437 HG11 ' CB ' ' A' ' 142' ' ' ALA . 34.4 m -132.13 16.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 72.21 109.324 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 125' ' ' LEU . 38.5 p -106.17 3.58 28.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 73.45 109.991 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 129' ' ' SER . 20.0 t70 38.36 50.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 55.43 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 48.31 45.68 28.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 63.34 111.003 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 129' ' ' SER . 37.5 t -95.8 -69.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 71.31 110.001 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.17 -11.43 2.3 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 51.34 110.993 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.4 mt-10 -148.37 166.79 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 0.798 . . . . 75.24 110.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.65 HG22 HE21 ' A' ' 139' ' ' GLN . 7.3 pt -136.67 130.33 46.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 55.54 109.301 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.434 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -94.13 -176.28 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 54.03 109.267 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.909 HG23 ' OE1' ' A' ' 138' ' ' GLN . 6.5 tp -56.59 -17.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 74.33 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.909 ' OE1' HG23 ' A' ' 137' ' ' ILE . 14.4 mm100 -88.23 -50.86 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 61.52 110.283 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.707 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 29.3 mt-30 -70.3 -57.25 5.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 74.52 110.314 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' A' ' 143' ' ' LEU . 43.4 t80 -42.36 -51.48 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 74.21 110.966 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.24 -35.12 71.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 74.23 109.259 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.54 -38.74 9.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 64.05 109.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 140' ' ' PHE . 1.7 mt -57.69 -45.06 86.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 63.14 109.286 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.759 ' N ' HD23 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -75.93 -13.18 60.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 72.43 109.279 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 53.4 109.961 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.28 -0.267 . . . . 64.12 110.28 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.795 ' HZ3' ' HB3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -57.19 -22.87 43.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 75.12 109.286 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . 0.715 ' HB2' ' HE3' ' A' ' 456' ' ' LYS . . . -86.98 -21.6 26.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 74.32 109.307 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 458' ' ' LEU . 0.3 OUTLIER -61.08 -44.53 97.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 64.43 109.333 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.665 ' O ' HD13 ' A' ' 463' ' ' LEU . 2.1 ptp85 -77.09 -26.04 52.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.33 110.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.455 ' HA ' HD22 ' A' ' 463' ' ' LEU . 20.7 t30 -70.04 -29.43 66.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 62.14 109.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.975 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -57.72 -26.43 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 65.54 109.303 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.689 HG23 ' CE1' ' A' ' 92' ' ' PHE . 7.6 mt -89.16 -32.52 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 72.1 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 459' ' ' ARG . 6.1 mp -48.23 -46.17 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 74.23 109.307 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 1.038 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -68.28 -61.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 52.24 109.307 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.04 HG23 HD13 ' A' ' 39' ' ' LEU . 17.8 mt -47.05 -24.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 71.1 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -80.79 -63.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 74.22 109.341 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.463 ' CD ' ' SD ' ' A' ' 72' ' ' MET . 22.2 mttt -61.26 -63.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 75.52 109.346 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.912 HG22 ' O ' ' A' ' 464' ' ' ALA . 5.0 m -38.85 -31.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 65.42 109.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 467' ' ' LYS . 1.3 t -77.71 -56.97 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 73.45 110.029 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.0 OUTLIER -50.1 -44.83 52.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.34 110.329 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.654 ' HB3' HD21 ' A' ' 51' ' ' LEU . 14.1 mtm -45.81 -29.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 61.04 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 12.6 t80 -87.27 -27.46 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 60.41 110.997 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 470' ' ' ARG . 13.9 t -86.22 -2.06 58.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 73.42 110.018 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 470' ' ' ARG . 12.2 p -112.6 -44.85 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 71.33 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.1 OUTLIER -40.22 -33.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 63.42 109.333 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 73.13 110.345 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.387 -0.227 . . . . 64.11 110.387 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -53.93 -23.6 13.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.41 110.293 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -73.68 -30.36 62.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 71.13 110.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 3.3 mt-30 -78.87 -39.0 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 72.15 110.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.831 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 1.6 mm -60.71 -21.44 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 63.12 109.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.79 -18.24 35.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 75.22 109.332 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 52.2 mt-10 -73.74 -61.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 73.34 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 33.4 m-85 -53.8 -22.12 8.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 65.34 110.964 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -54.72 -31.65 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.23 109.307 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.08 -35.35 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.54 110.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -71.05 -15.3 62.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 65.13 109.263 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 8.0 t80 -86.73 -35.1 19.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 73.13 110.965 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.25 -18.2 65.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 72.34 109.298 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.844 HD21 ' HG2' ' A' ' 461' ' ' LYS . 59.2 mt -51.16 -34.71 32.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 73.43 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.882 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 5.8 m-85 -115.69 -49.82 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 71.24 111.043 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.65 92.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 61.54 109.296 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.751 ' HE3' HG21 ' A' ' 34' ' ' THR . 20.1 mmtt -70.48 -67.3 0.51 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 123.64 1.686 . . . . 65.13 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.6 p30 -74.45 -7.88 54.44 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.898 -1.049 . . . . 74.13 109.962 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.74 61.18 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 71.21 109.283 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 13.1 p30 -94.09 -26.83 16.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 70.5 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 111.58 33.61 2.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 42.03 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.401 ' CB ' ' OE1' ' A' ' 62' ' ' GLN . 0.6 OUTLIER -168.91 111.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 63.22 110.012 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.593 HD13 ' HB2' ' A' ' 19' ' ' PHE . 90.4 mt -92.41 99.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 63.24 109.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 p -64.97 179.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.32 110.004 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -68.61 -34.16 75.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 74.22 110.024 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -30.15 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 75.44 110.025 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 34' ' ' THR . 51.8 mt-10 -82.55 -35.2 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 74.12 110.347 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.037 HD22 HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -73.31 -49.61 26.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 63.01 109.323 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.703 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -70.09 -12.84 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 71.24 109.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.751 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -68.73 -23.96 64.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 74.31 110.407 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 1.7 t -88.72 -56.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 63.05 109.32 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.624 ' CE ' HD13 ' A' ' 41' ' ' LEU . 70.7 mmm -37.26 -55.37 1.01 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 71.41 110.987 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' SER . 18.2 ptp180 -61.34 -42.46 98.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 75.2 110.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.3 m -54.77 -22.14 13.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 61.32 110.012 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.976 HD13 HG23 ' A' ' 465' ' ' ILE . 18.4 mt -90.81 -22.41 21.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 72.03 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.69 4.87 8.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 73.02 111.05 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.637 HD11 ' OG ' ' A' ' 469' ' ' SER . 29.0 mt -81.76 -176.35 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 75.31 109.334 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.457 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 34.3 p -162.61 61.17 1.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 63.13 110.029 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HA ' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.99 139.28 24.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 63.03 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.43 140.34 38.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 61.51 110.005 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 16.6 tt0 -53.73 -27.33 27.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 75.04 110.328 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.0 -49.2 75.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 73.04 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.79 ' CB ' HD21 ' A' ' 475' ' ' LEU . 2.7 mt-10 -74.07 -51.91 14.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 65.42 110.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.037 HG13 HD22 ' A' ' 32' ' ' LEU . 55.1 t -40.41 -29.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 51.25 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 47' ' ' GLU . 86.8 m-20 -73.33 -65.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 73.53 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -22.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 71.52 109.298 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.897 ' HB2' HD22 ' A' ' 475' ' ' LEU . 4.6 tt -80.52 -62.42 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 72.03 109.303 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.406 ' HB3' HD13 ' A' ' 32' ' ' LEU . 10.2 ptm -62.97 -13.75 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 61.11 110.958 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -90.74 -12.39 36.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 73.23 109.317 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.746 ' C ' HD13 ' A' ' 55' ' ' ILE . 5.4 mm-40 -82.47 -10.32 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.41 110.261 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.746 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.2 mm -117.74 -41.57 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 61.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 7.1 t0 -37.93 123.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.23 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.455 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 3.3 t -82.19 -36.13 13.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 CA-C-O 123.596 1.665 . . . . 61.52 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.505 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 54.3 p30 -97.08 -6.15 35.82 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.86 -1.067 . . . . 65.23 109.967 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.84 43.18 81.14 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.523 1.139 . . . . 73.41 110.997 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 29.1 p-10 -97.49 13.75 28.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.771 . . . . 72.4 109.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.654 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 44.3 t60 67.63 38.21 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.04 109.609 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.422 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 34.2 mt-30 -154.3 158.45 40.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 74.53 110.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -116.24 123.73 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 72.25 109.318 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 5.7 mt-10 -91.75 166.49 12.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 54.21 110.34 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.831 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 1.8 t80 -64.66 -12.99 52.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 72.33 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.3 p -94.27 -43.13 8.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 71.45 110.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 20.3 mt-10 -67.75 -47.99 67.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 71.34 110.315 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.421 ' HE1' ' HB3' ' A' ' 15' ' ' ALA . 58.6 t80 -58.7 -42.11 87.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 72.04 111.035 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.662 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.68 -31.04 67.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 75.35 109.288 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -70.83 -19.97 62.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 63.41 109.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.853 HD21 ' SD ' ' A' ' 471' ' ' MET . 3.3 tp -69.57 -53.29 19.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 65.14 109.332 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.5 ' SD ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -60.29 -16.92 38.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.43 110.99 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -118.15 27.28 9.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 74.04 109.967 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 73.01 110.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.635 . . . . 74.0 109.284 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 pp -46.47 -30.68 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 70.25 109.309 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 11.4 mm-40 -73.77 -57.32 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 60.53 110.291 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 1.035 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -64.9 -13.02 55.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 55.24 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 16.3 t80 -83.95 -55.82 4.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 64.24 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 11.9 ptpt -67.34 -40.71 85.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 72.5 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.483 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 1.7 p -55.06 -47.78 76.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 71.2 109.29 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.836 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.4 m-85 -68.0 -37.83 81.92 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.639 1.685 . . . . 73.51 111.012 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.405 ' OD2' ' HA2' ' A' ' 96' ' ' GLY . 0.3 OUTLIER -76.15 102.61 5.82 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 117.953 -1.023 . . . . 75.34 109.969 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -32.37 19.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.22 109.322 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.45 -50.94 12.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 62.45 109.289 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.47 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 93.11 63.59 1.09 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 73.53 110.97 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.728 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -119.19 -6.13 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 74.01 109.273 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.14 7.81 67.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 60.2 111.028 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.814 HD23 ' HB3' ' A' ' 136' ' ' ASN . 1.1 mt -142.27 116.56 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 65.11 109.311 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.626 HD13 ' CB ' ' A' ' 92' ' ' PHE . 58.0 mt -78.75 105.82 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 73.41 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 p -70.03 -178.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 65.51 110.027 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.78 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -51.8 -71.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 63.11 109.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -41.1 -65.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 75.31 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' ALA . 75.2 mt-10 -38.34 -29.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 60.45 110.353 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.836 HD23 ' CG2' ' A' ' 121' ' ' VAL . 3.3 tp -93.46 -72.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 64.12 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.537 ' HB3' HG21 ' A' ' 121' ' ' VAL . 5.6 ptmt -48.51 -56.98 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 70.44 109.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.627 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.3 -37.6 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.24 109.581 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.836 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -71.92 -40.26 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 75.51 109.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 114' ' ' GLU . 1.9 mm? -67.12 -26.18 66.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 74.45 109.354 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.6 m -82.8 -17.16 45.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 65.02 110.357 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.754 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -76.72 -10.69 59.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 70.23 109.974 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.05 HG21 HD11 ' A' ' 465' ' ' ILE . 6.1 pt -112.44 -32.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 65.25 109.271 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.36 -33.73 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 61.35 110.958 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.517 ' CB ' HD12 ' A' ' 109' ' ' LEU . 10.4 mm-40 -62.63 106.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 71.14 110.269 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -106.73 93.21 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 75.53 109.357 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 120' ' ' GLU . 1.4 mp -102.39 142.52 33.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 72.41 109.32 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.2 p -75.15 155.68 36.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 73.53 110.374 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 33.3 t0 -53.65 -34.3 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 71.21 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.19 -24.13 51.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 62.02 109.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.686 ' HB3' HD23 ' A' ' 116' ' ' LEU . 51.5 mt-10 -76.73 -56.69 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 52.51 110.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.836 ' CG2' HD23 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -63.07 -50.4 79.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 24.12 109.289 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.51 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 12.8 t0 -47.07 -25.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 65.32 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 121' ' ' VAL . 3.4 t0 -90.65 -35.99 14.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 72.35 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 121' ' ' VAL . 36.7 ttm -62.73 -36.11 81.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 74.23 110.991 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.658 HD13 ' O ' ' A' ' 133' ' ' GLY . 10.1 mt -62.12 -52.66 62.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 71.54 109.261 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 125' ' ' LEU . 37.5 mtt180 -37.11 -30.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.45 110.329 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 27.0 mm-40 -46.42 -50.39 16.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 73.33 110.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.539 HG11 ' CB ' ' A' ' 142' ' ' ALA . 19.9 m -132.32 14.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.24 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.0 p -100.48 11.29 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 75.33 109.992 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 129' ' ' SER . 25.9 t0 39.2 45.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 73.33 109.257 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.91 46.75 75.66 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.492 1.12 . . . . 45.45 110.984 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' SER . 41.5 t -106.83 -77.39 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 0.795 . . . . 65.51 110.002 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.658 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 149.9 -17.58 1.08 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.518 1.136 . . . . 52.33 111.041 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 19.6 mt-10 -129.84 156.22 44.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 72.22 110.334 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.784 HD11 HD13 ' A' ' 105' ' ' LEU . 3.0 pt -128.82 123.04 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 74.11 109.332 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.814 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -91.99 175.17 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 60.14 109.307 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.52 ' HB ' ' CE2' ' A' ' 89' ' ' PHE . 5.7 tp -46.48 -25.0 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 62.24 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 3.8 mm-40 -81.92 -58.47 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 73.02 110.284 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.577 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 20.9 mt-30 -64.6 -57.42 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 74.32 110.276 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' A' ' 144' ' ' LEU . 20.8 t80 -44.52 -44.48 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 74.23 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.551 ' CB ' HD21 ' A' ' 85' ' ' LEU . . . -56.98 -35.71 69.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 41.42 109.262 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -49.29 -48.0 46.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.02 109.26 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.2 mt -59.71 -45.3 92.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 74.1 109.333 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 85' ' ' LEU . 4.7 mt -72.05 -6.15 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 43.04 109.29 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 74.13 110.004 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 42.6 mmt-85 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.3 -0.259 . . . . 71.12 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -60.61 -16.66 40.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 71.4 109.311 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.84 -18.25 24.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 72.11 109.319 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 458' ' ' LEU . 0.4 OUTLIER -73.16 -47.62 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 53.01 109.282 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -73.94 -34.68 64.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 75.53 110.291 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.597 ' HA ' HD12 ' A' ' 463' ' ' LEU . 9.1 t30 -58.42 -35.89 72.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 62.22 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.844 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -58.77 -27.13 64.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 71.14 109.33 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.657 HG23 ' HE1' ' A' ' 92' ' ' PHE . 27.1 mt -89.57 -35.45 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 74.23 109.302 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 460' ' ' ASN . 96.8 mt -47.35 -48.11 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 75.32 109.308 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.564 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -70.23 -56.3 7.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 61.51 109.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.05 HD11 HG21 ' A' ' 112' ' ' ILE . 10.3 mt -45.16 -26.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 75.32 109.341 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 1.035 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.02 -72.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 62.54 109.275 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.482 ' CE ' ' HA ' ' A' ' 72' ' ' MET . 4.2 mtpp -46.83 -59.96 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 65.4 109.303 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.882 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 98.4 t -42.47 -30.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 74.23 109.336 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.637 ' OG ' HD11 ' A' ' 41' ' ' LEU . 7.4 t -82.95 -67.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 53.41 110.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.455 ' HD3' HG23 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -40.64 -29.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.13 110.289 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.853 ' SD ' HD21 ' A' ' 71' ' ' LEU . 30.6 mtp -57.96 -47.06 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 63.41 111.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.609 ' CZ ' ' HA ' ' A' ' 43' ' ' PRO . 46.6 t80 -58.71 -25.37 62.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 74.33 110.985 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 52.7 m -80.33 -15.09 57.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 74.11 109.995 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.455 HG23 ' HD3' ' A' ' 470' ' ' ARG . 58.5 t -96.71 -52.38 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 72.13 109.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.897 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -38.49 -34.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 74.42 109.322 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 73.21 110.269 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.446 HG23 ' OE1' ' A' ' 8' ' ' GLN . 4.9 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.411 -0.218 . . . . 74.55 110.411 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -53.83 -31.86 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.35 110.294 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -66.51 -27.25 67.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 74.32 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.446 ' OE1' HG23 ' A' ' 5' ' ' THR . 2.7 mt-30 -83.41 -39.77 20.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 73.32 110.288 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.986 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -60.99 -30.19 47.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 74.41 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -16.66 63.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 65.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 67.8 mt-10 -74.4 -68.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 75.13 110.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 72' ' ' MET . 43.5 m-85 -51.51 -20.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 74.12 110.967 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -50.81 -44.32 59.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 75.02 109.317 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -69.92 -53.54 17.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 60.04 110.318 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.969 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -50.91 -23.02 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 75.25 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CZ ' ' C ' ' A' ' 64' ' ' GLU . 9.2 t80 -78.58 -34.04 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 71.01 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.37 -16.54 64.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 73.44 109.271 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.767 HD21 ' HG3' ' A' ' 461' ' ' LYS . 36.7 mt -56.85 -37.51 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 60.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.657 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 38.4 m-85 -107.75 -45.9 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 73.22 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.501 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -58.12 86.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 73.41 109.296 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.569 ' HE3' HG21 ' A' ' 34' ' ' THR . 39.5 mmtt -58.55 -67.56 0.35 Allowed 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 123.627 1.68 . . . . 60.22 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -79.09 -21.28 46.93 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.903 -1.046 . . . . 75.0 109.991 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m120 71.81 57.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 72.14 109.327 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 21.6 p30 -93.24 -13.24 28.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 72.12 109.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.439 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 96.59 35.84 5.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 71.12 110.98 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.404 ' CB ' ' HB3' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -169.08 113.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 73.55 110.054 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 26.5 mt -95.97 98.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 62.23 109.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.23 162.86 24.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 63.15 109.978 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.43 ' CB ' HG12 ' A' ' 48' ' ' VAL . 2.7 t -57.66 -16.96 12.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 75.45 110.033 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -25.24 29.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 71.42 110.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.724 ' O ' HG22 ' A' ' 34' ' ' THR . 38.1 mt-10 -90.53 -40.19 12.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 74.11 110.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.989 HD22 HG13 ' A' ' 48' ' ' VAL . 1.1 tt -62.97 -49.82 73.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 70.2 109.314 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.583 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -67.83 -12.63 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 65.34 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -71.82 -29.26 64.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 54.12 110.394 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.559 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.2 t -89.23 -61.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 72.42 109.298 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.721 ' HE2' HD13 ' A' ' 41' ' ' LEU . 69.8 mtp -37.85 -52.74 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 74.11 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' SER . 5.2 ptm180 -62.38 -40.61 97.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 73.32 110.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' VAL . 15.5 m -60.83 -29.07 69.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 62.42 109.992 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.021 HD13 HG23 ' A' ' 465' ' ' ILE . 14.5 mt -76.32 -21.47 56.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 72.33 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.24 1.54 8.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 61.34 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.721 HD13 ' HE2' ' A' ' 36' ' ' MET . 16.1 mt -81.25 -174.0 4.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 71.32 109.29 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 3.6 t -164.2 61.3 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 63.32 109.982 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.97 142.4 27.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 72.1 111.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m -87.45 140.43 29.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 74.33 109.947 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 17.5 tt0 -48.13 -28.12 2.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 75.42 110.291 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.67 -49.48 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 64.14 109.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.15 -51.34 12.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 64.53 110.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.989 HG13 HD22 ' A' ' 32' ' ' LEU . 54.7 t -40.48 -34.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 72.52 109.26 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 89.1 m-20 -66.77 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 71.2 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -56.37 -17.82 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 64.55 109.301 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.847 HD11 ' HE2' ' A' ' 471' ' ' MET . 1.6 tm? -76.62 -56.41 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 74.45 109.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 ptp -75.9 -14.23 60.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 52.23 111.002 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -83.93 -8.06 59.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 72.02 109.282 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.985 ' C ' HD13 ' A' ' 55' ' ' ILE . 7.8 mt-10 -93.36 -6.75 46.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 65.04 110.288 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.985 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -117.1 -48.16 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 72.41 109.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 2.1 t0 -39.87 120.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 64.42 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 67' ' ' GLU . 49.8 t -88.58 -12.52 10.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 CA-C-O 123.616 1.674 . . . . 33.53 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 47.0 p-10 -117.71 -8.02 10.93 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.887 -1.054 . . . . 63.24 109.97 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.486 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 60.89 39.47 96.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 70.3 110.989 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.435 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 31.3 p-10 -91.64 24.55 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 72.12 109.291 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.637 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 58.9 t60 48.07 37.16 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 71.43 109.572 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 40.4 mt-30 -159.51 149.94 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 71.21 110.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.85 127.03 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 61.44 109.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.524 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 9.6 mt-10 -92.75 178.86 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 74.43 110.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.986 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.6 t80 -77.38 -13.29 59.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 63.15 110.999 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.4 p -91.99 -44.22 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 62.33 109.979 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HG2' HG23 ' A' ' 57' ' ' VAL . 29.3 mt-10 -68.09 -55.75 11.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 61.31 110.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -49.42 -48.52 47.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 73.13 110.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -67.41 -32.95 74.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 72.23 109.297 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.45 -15.52 63.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 74.34 109.3 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.67 HD12 HD12 ' A' ' 55' ' ' ILE . 3.5 tt -79.65 -54.49 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 63.24 109.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 72' ' ' MET . 0.7 OUTLIER -52.96 -26.16 14.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 74.15 110.966 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -107.27 30.75 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 64.41 110.047 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 75.23 110.273 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.786 HD21 ' HA ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.329 -0.619 . . . . 71.5 109.329 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -46.78 -28.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 72.14 109.3 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 6.7 mm-40 -73.66 -49.99 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 74.24 110.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.822 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -74.17 -12.79 60.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 34.53 109.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 85' ' ' LEU . 13.6 t80 -71.69 -49.64 37.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 65.42 110.975 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -77.43 -33.94 54.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 71.3 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -57.0 -49.19 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 61.33 109.337 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.898 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.6 m-85 -66.37 -38.24 87.12 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 123.625 1.678 . . . . 74.34 111.04 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.32 99.59 2.45 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 117.899 -1.048 . . . . 52.32 109.985 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -85.53 -32.95 21.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 75.45 109.287 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.23 -46.42 28.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 70.43 109.3 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.03 77.24 1.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.495 1.122 . . . . 65.01 111.012 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.729 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -140.17 10.87 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 74.33 109.271 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.863 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 68.95 20.57 74.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 64.44 110.989 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.0 mt -149.9 110.64 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 72.54 109.31 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.57 HD13 ' CB ' ' A' ' 92' ' ' PHE . 63.8 mt -76.21 103.82 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 73.21 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.2 p -72.29 176.96 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 51.42 109.979 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -46.32 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 51.13 109.261 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -40.76 -66.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 74.01 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 103' ' ' ALA . 41.3 mt-10 -38.26 -29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 53.42 110.286 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.754 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.4 OUTLIER -93.44 -72.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 74.31 109.249 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.643 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -47.62 -56.49 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 64.32 109.313 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.643 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -47.01 -40.32 14.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 64.12 109.634 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.898 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -68.48 -46.77 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 61.5 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 116' ' ' LEU . 1.2 mt -60.61 -28.71 68.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 52.31 109.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 10.6 m -81.99 -9.36 59.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 73.41 110.373 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.724 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -83.65 -12.47 55.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 72.35 109.952 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.02 HG21 HD11 ' A' ' 465' ' ' ILE . 5.4 pt -97.74 -32.11 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 75.11 109.278 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 143.42 -37.11 1.5 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 54.21 111.022 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.475 ' CG ' ' HB3' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -58.25 174.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 74.31 110.312 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 1.7 pttp -151.83 128.7 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 54.54 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 109' ' ' LEU . 8.2 mt -126.22 128.89 47.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 74.35 109.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.4 p -73.67 163.85 27.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 63.33 110.362 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 3.9 m-20 -54.07 -44.69 71.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 72.23 109.287 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.19 -21.29 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 70.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.606 ' HB3' HD22 ' A' ' 116' ' ' LEU . 8.4 mm-40 -81.29 -64.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 73.43 110.341 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.643 HG21 ' HB3' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -57.65 -50.62 76.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 74.02 109.307 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.518 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 14.7 t70 -54.8 -25.15 26.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 71.42 109.241 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.28 -25.45 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.34 109.305 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.576 ' HE1' HD11 ' A' ' 458' ' ' LEU . 38.0 ttm -72.23 -38.38 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 73.33 111.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 129' ' ' SER . 9.8 mt -65.14 -57.0 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 74.01 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 125' ' ' LEU . 34.5 mtt-85 -38.02 -29.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 75.21 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.7 mm-40 -48.26 -50.85 28.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.21 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.547 HG11 ' CB ' ' A' ' 142' ' ' ALA . 19.8 m -132.1 15.66 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 65.11 109.317 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 125' ' ' LEU . 38.3 p -105.45 4.88 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 75.22 109.982 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' SER . 26.4 t70 37.32 51.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 75.34 109.338 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 47.56 47.71 23.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 70.42 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' SER . 47.7 t -96.44 -69.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 50.51 109.982 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.43 -12.91 1.81 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 72.32 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.41 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 30.3 mt-10 -148.06 169.39 20.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 63.42 110.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.754 HD11 ' CD1' ' A' ' 105' ' ' LEU . 5.9 pt -137.6 130.52 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 73.31 109.353 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.461 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -99.32 -179.85 4.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 72.35 109.246 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.751 HG23 HE21 ' A' ' 138' ' ' GLN . 5.7 tp -49.69 -22.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 55.14 109.278 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.751 HE21 HG23 ' A' ' 137' ' ' ILE . 5.2 mm-40 -82.88 -56.03 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 71.53 110.314 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.656 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 26.3 mt-30 -68.52 -58.69 3.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 63.42 110.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 136' ' ' ASN . 12.5 t80 -43.3 -49.68 6.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 70.25 110.97 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.786 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -55.24 -35.28 64.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 72.5 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -52.53 -38.53 59.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 41.34 109.315 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 135' ' ' ILE . 55.2 mt -57.6 -54.2 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 74.02 109.325 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.747 ' N ' HD23 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -62.57 -13.55 32.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 71.11 109.27 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 73.43 109.973 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.329 -0.248 . . . . 73.32 110.329 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.43 ' NZ ' ' OE2' ' A' ' 11' ' ' GLU . 4.9 ptmm? -74.49 -21.57 59.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 73.11 109.255 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -87.56 -19.71 27.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 71.33 109.247 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.576 HD11 ' HE1' ' A' ' 124' ' ' MET . 0.2 OUTLIER -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 61.32 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -60.73 -30.22 69.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 72.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.608 ' HA ' HD12 ' A' ' 463' ' ' LEU . 11.1 t30 -61.82 -37.33 84.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 74.44 109.324 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.78 ' O ' HD12 ' A' ' 465' ' ' ILE . 0.0 OUTLIER -51.6 -28.99 15.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 55.04 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.764 HG23 ' CE1' ' A' ' 92' ' ' PHE . 13.5 mt -89.28 -39.66 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.14 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 460' ' ' ASN . 94.8 mt -44.95 -44.51 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 62.22 109.349 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.969 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -70.4 -55.76 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 72.31 109.33 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.021 HG23 HD13 ' A' ' 39' ' ' LEU . 15.2 mt -48.29 -24.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 54.15 109.316 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.822 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -86.02 -69.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 63.25 109.262 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 468' ' ' VAL . 17.9 mttt -43.95 -66.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.14 109.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 464' ' ' ALA . 6.3 m -39.28 -33.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 63.55 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 466' ' ' ALA . 1.1 t -69.61 -56.42 7.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 64.34 109.978 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.471 ' CD ' ' HB ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -54.08 -40.56 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 75.14 110.262 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.847 ' HE2' HD11 ' A' ' 51' ' ' LEU . 44.3 mtp -48.32 -29.12 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 65.51 110.958 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.58 ' HB2' ' HE3' ' A' ' 36' ' ' MET . 46.6 t80 -89.03 -23.16 22.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 72.43 110.999 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 470' ' ' ARG . 1.0 OUTLIER -92.01 -2.33 56.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 70.15 109.978 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.471 ' HB ' ' CD ' ' A' ' 470' ' ' ARG . 13.0 p -109.51 -47.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 63.3 109.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.49 -34.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 65.12 109.283 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 75.05 110.307 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.2 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.412 -0.218 . . . . 63.13 110.412 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -40.97 -39.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 75.34 110.264 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -68.11 -44.56 75.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 62.1 110.278 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' THR . 27.5 mm100 -56.88 -33.62 67.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 74.33 110.347 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 9' ' ' ILE . 1.9 mm -65.72 -22.09 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.21 109.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.18 -13.32 53.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 72.44 109.325 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 23.2 mt-10 -79.19 -62.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.22 110.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -53.98 -23.66 14.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 65.25 110.99 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.9 mttt -54.44 -41.35 69.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 74.11 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 17' ' ' ALA . 18.8 mm-40 -71.44 -55.88 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 73.41 110.304 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.766 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -50.56 -23.02 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 64.15 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.603 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 12.2 t80 -79.7 -33.11 41.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 63.14 110.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -67.33 -20.7 65.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 72.13 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.743 HD21 ' HG3' ' A' ' 461' ' ' LYS . 43.2 mt -50.73 -37.77 43.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 75.35 109.281 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.648 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 14.1 m-85 -107.61 -52.25 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 74.31 111.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.603 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -47.04 94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 71.3 109.315 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.793 ' HE3' HG21 ' A' ' 34' ' ' THR . 9.2 mmtp -69.84 -66.84 0.54 Allowed 'General case' 0 C--O 1.215 -0.75 0 CA-C-O 123.643 1.687 . . . . 51.11 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.92 -10.13 59.72 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.908 -1.044 . . . . 73.12 109.984 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m120 59.66 59.84 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 60.02 109.292 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -99.58 -17.06 18.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 72.43 109.314 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 97.57 39.8 3.82 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 60.55 110.998 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.69 111.75 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.781 . . . . 71.31 109.999 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' ' 19' ' ' PHE . 63.0 mt -97.41 97.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 72.33 109.316 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -66.32 163.09 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 64.13 109.978 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.531 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 1.4 t -56.15 -18.0 8.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 63.11 109.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -24.29 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 63.03 110.004 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' A' ' 34' ' ' THR . 58.7 mt-10 -90.54 -28.65 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.42 110.349 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.106 HD22 HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -77.23 -47.46 20.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 74.11 109.275 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.702 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -68.19 -12.47 61.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 40.25 109.347 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.793 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.32 -25.35 63.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 73.14 110.435 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.574 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.0 t -91.35 -62.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 65.1 109.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.553 ' HE1' ' HB2' ' A' ' 472' ' ' PHE . 90.1 mtp -38.38 -50.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 64.03 110.979 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' A' ' 38' ' ' SER . 7.9 ptm180 -66.65 -39.18 88.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 62.42 110.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' VAL . 15.4 m -58.89 -24.56 62.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 70.21 110.006 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.031 HD13 HG23 ' A' ' 465' ' ' ILE . 16.0 mt -82.42 -19.69 38.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 63.44 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.99 2.93 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.145 . . . . 62.24 110.987 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.435 HD12 ' CA ' ' A' ' 36' ' ' MET . 15.5 mt -80.93 -176.19 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 73.25 109.255 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.455 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 70.7 m -162.44 61.43 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 73.32 110.016 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.0 145.25 31.19 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 44.23 111.022 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -90.56 140.46 29.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 41.13 109.976 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.3 tt0 -45.08 -28.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 73.11 110.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.58 -49.03 76.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 45.12 109.296 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HB3' HD21 ' A' ' 475' ' ' LEU . 0.7 OUTLIER -76.76 -51.35 11.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 72.41 110.271 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.106 HG13 HD22 ' A' ' 32' ' ' LEU . 54.4 t -40.35 -38.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 64.33 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 91.1 m-20 -63.47 -63.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 71.22 109.288 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -57.4 -17.31 12.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 72.53 109.281 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.649 HD11 ' HE3' ' A' ' 471' ' ' MET . 0.2 OUTLIER -78.41 -51.59 9.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 72.14 109.312 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.556 ' HB3' HD13 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -80.99 -11.68 59.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 74.2 110.943 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ASN . 5.9 m-80 -88.13 -7.62 56.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 60.15 109.28 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.562 ' O ' HD13 ' A' ' 55' ' ' ILE . 2.4 mm-40 -90.69 -7.43 52.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 72.43 110.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.86 HD12 HD13 ' A' ' 71' ' ' LEU . 5.0 mm -117.72 -48.01 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 74.25 109.272 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 1.2 t0 -39.08 114.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 72.35 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 67' ' ' GLU . 46.9 t -78.79 -7.05 10.09 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 CA-C-O 123.639 1.685 . . . . 63.34 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -123.64 -21.2 5.29 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 117.909 -1.043 . . . . 75.54 110.009 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.28 52.81 24.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 53.13 110.981 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 34.9 p-10 -100.97 13.03 36.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 53.24 109.274 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.644 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 51.3 t60 66.07 28.4 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 73.05 109.576 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 44.1 mt-30 -156.69 147.96 22.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 75.44 110.291 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.8 129.1 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.01 109.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.426 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -95.3 173.06 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 62.25 110.318 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.556 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.9 t80 -71.0 -12.98 61.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 75.35 110.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 t -92.3 -41.41 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 72.41 110.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.504 ' HG2' HG23 ' A' ' 57' ' ' VAL . 29.7 mt-10 -70.85 -48.76 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 73.55 110.328 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -57.13 -41.44 79.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 73.14 110.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.765 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -72.59 -33.19 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 61.42 109.326 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.46 -15.94 60.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.44 109.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.86 HD13 HD12 ' A' ' 55' ' ' ILE . 18.5 tp -72.56 -51.17 20.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 73.24 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.429 ' CE ' ' CD ' ' A' ' 467' ' ' LYS . 3.3 mmt -55.38 -32.42 62.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 72.14 111.004 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 t -89.78 18.4 5.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 62.21 109.971 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.32 110.344 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.804 ' HB3' HD11 ' A' ' 137' ' ' ILE . 7.0 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.304 -0.628 . . . . 62.02 109.304 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 87' ' ' GLU . 2.5 pp -57.58 -46.99 83.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 73.54 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.558 ' N ' HD12 ' A' ' 86' ' ' LEU . 31.0 mm-40 -52.6 -44.05 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 74.4 110.279 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -80.7 -23.71 39.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 65.14 109.306 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.475 ' HA ' HD11 ' A' ' 100' ' ' ILE . 9.1 t80 -67.46 -64.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 72.14 111.012 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -60.54 -34.55 74.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 71.44 109.326 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.3 t -58.24 -56.44 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 74.44 109.297 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.847 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.5 m-85 -63.75 -43.01 97.71 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.638 1.685 . . . . 64.31 111.044 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.63 98.8 1.97 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.953 -1.022 . . . . 74.12 109.949 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -30.02 21.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 72.25 109.301 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -78.23 -43.51 28.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 72.24 109.292 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.44 78.88 1.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 73.31 110.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.636 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.41 11.11 2.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 61.44 109.313 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.845 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.15 17.74 72.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.445 1.091 . . . . 74.22 110.963 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.4 mt -149.57 112.68 4.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 0.78 . . . . 74.24 109.339 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.64 HD13 ' CB ' ' A' ' 92' ' ' PHE . 61.9 mt -79.24 105.33 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 74.14 109.277 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.6 t -70.06 -176.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 62.14 109.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.657 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -54.78 -67.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 63.14 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -42.08 -65.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 51.31 109.259 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' ALA . 36.7 mt-10 -38.78 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 70.24 110.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.735 HD21 ' SD ' ' A' ' 124' ' ' MET . 2.7 tp -90.46 -72.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 61.32 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.873 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -46.23 -59.31 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 70.53 109.298 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.719 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.26 -38.27 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 63.44 109.576 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.847 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -73.36 -38.85 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 54.25 109.248 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.586 HD23 HG12 ' A' ' 108' ' ' VAL . 1.9 mt -67.38 -25.26 65.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 63.42 109.341 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 m -86.6 -10.42 53.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 63.1 110.404 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.777 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -84.67 -1.67 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 71.33 109.992 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.075 HG21 HD11 ' A' ' 465' ' ' ILE . 8.3 pt -112.53 -32.91 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 71.53 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.36 -32.25 1.38 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 50.4 111.006 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.598 ' HG3' ' HZ3' ' A' ' 461' ' ' LYS . 11.2 mm-40 -56.62 173.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 64.23 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -159.36 116.13 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 72.11 109.313 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.696 HD13 ' HE3' ' A' ' 124' ' ' MET . 41.8 mt -127.68 137.51 52.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 63.12 109.3 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 120' ' ' GLU . 25.2 p -69.58 151.31 46.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 75.32 110.396 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -51.59 -23.67 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 72.51 109.319 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.32 -31.3 21.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 61.55 109.283 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.518 ' HB3' HD22 ' A' ' 116' ' ' LEU . 12.9 mm-40 -75.15 -28.5 60.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 75.54 110.258 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.953 ' O ' HD22 ' A' ' 125' ' ' LEU . 9.2 p -84.81 -53.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 64.24 109.291 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.541 ' N ' HG13 ' A' ' 121' ' ' VAL . 7.4 t0 -49.47 -22.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 71.22 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 121' ' ' VAL . 4.1 t70 -90.86 -32.51 16.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 64.32 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.735 ' SD ' HD21 ' A' ' 105' ' ' LEU . 27.9 ttm -60.64 -33.39 72.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 75.24 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.953 HD22 ' O ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -69.33 -53.8 17.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 73.14 109.323 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 125' ' ' LEU . 17.2 mtt180 -35.18 -33.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 71.42 110.274 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.9 mm-40 -41.99 -50.73 4.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 64.12 110.276 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.519 HG11 ' CB ' ' A' ' 142' ' ' ALA . 34.2 m -132.79 10.51 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 65.45 109.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.2 p -95.34 10.99 34.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 64.34 110.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.0 t70 45.74 39.14 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 71.51 109.264 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.2 35.05 91.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 74.55 110.975 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' SER . 89.9 p -95.06 -80.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 72.25 110.002 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.56 -22.14 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 42.25 111.0 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 25.5 mt-10 -117.85 176.66 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 75.12 110.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.556 HD11 HD13 ' A' ' 105' ' ' LEU . 2.5 pt -149.91 121.73 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.55 109.344 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.555 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -87.46 174.81 8.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 73.24 109.304 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.804 HD11 ' HB3' ' A' ' 85' ' ' LEU . 5.3 tp -47.42 -24.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.11 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.49 ' NE2' HG23 ' A' ' 137' ' ' ILE . 3.7 mm-40 -83.95 -57.66 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 71.35 110.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.695 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 23.0 mt-30 -62.77 -56.07 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 73.33 110.276 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.436 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 38.4 t80 -43.1 -48.91 6.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 63.33 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.409 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -61.96 -32.79 73.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 73.22 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -48.84 -44.35 39.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 54.01 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -41.51 80.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 75.32 109.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.57 ' N ' HD23 ' A' ' 144' ' ' LEU . 3.2 mt -70.58 -20.67 62.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 73.33 109.302 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 142' ' ' ALA . 3.5 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 72.52 109.967 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.276 -0.268 . . . . 65.45 110.276 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.441 ' HA ' ' NH2' ' A' ' 459' ' ' ARG . 0.2 OUTLIER -57.81 -26.36 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 70.45 109.337 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -85.47 -19.98 30.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 70.43 109.289 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -52.8 58.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.44 109.3 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.441 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 2.4 ptp85 -66.77 -25.81 66.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 71.5 110.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.782 ' HA ' HD22 ' A' ' 463' ' ' LEU . 14.8 t30 -67.83 -29.9 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 51.21 109.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.743 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -56.45 -27.0 55.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 64.12 109.287 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.702 HG23 ' CE1' ' A' ' 92' ' ' PHE . 8.6 mt -88.77 -32.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.5 109.258 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.782 HD22 ' HA ' ' A' ' 460' ' ' ASN . 1.0 OUTLIER -49.94 -43.53 50.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 73.13 109.309 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.766 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -70.33 -61.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 75.23 109.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.075 HD11 HG21 ' A' ' 112' ' ' ILE . 22.9 mt -47.92 -24.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 63.22 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -83.24 -71.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.092 . . . . 75.51 109.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 470' ' ' ARG . 16.8 mttp -51.85 -63.05 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 73.05 109.308 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.648 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 58.4 t -38.75 -44.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 44.41 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 16.8 t -66.69 -46.88 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 75.12 110.035 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.5 tmt_? -55.2 -43.79 74.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.22 110.288 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.649 ' HE3' HD11 ' A' ' 51' ' ' LEU . 5.0 mtm -46.8 -23.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 74.43 111.005 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 7.2 t80 -88.51 -30.45 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 55.32 110.993 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 470' ' ' ARG . 3.6 t -85.15 -2.32 57.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 52.32 110.017 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 471' ' ' MET . 10.8 p -111.05 -48.89 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 74.14 109.317 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.1 OUTLIER -40.45 -36.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 73.45 109.308 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 70.3 110.289 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.424 -0.213 . . . . 62.34 110.424 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -52.13 -33.65 40.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 73.12 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.72 -27.19 63.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 65.23 110.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -75.4 -39.28 59.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.03 110.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.163 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.7 mm -63.75 -21.33 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 73.44 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.29 -12.61 60.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 64.12 109.257 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 5.8 mm-40 -84.53 -70.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 53.02 110.315 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -40.67 -28.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 74.11 111.01 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mttt -47.37 -48.53 25.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 63.32 109.324 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -58.04 -37.07 73.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 75.44 110.321 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.649 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -72.47 -15.44 61.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 70.22 109.272 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.9 t80 -82.54 -37.05 25.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 72.42 111.014 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -21.02 66.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 75.21 109.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.899 HD21 ' HG3' ' A' ' 461' ' ' LYS . 54.1 mt -49.09 -42.67 39.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 75.43 109.32 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' HZ ' HG11 ' A' ' 468' ' ' VAL . 18.6 m-85 -106.5 -51.44 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 72.4 111.025 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.582 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.78 92.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 64.32 109.272 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.605 ' HE3' HG21 ' A' ' 34' ' ' THR . 41.3 mmtt -70.52 -65.06 0.78 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.633 1.682 . . . . 72.2 109.316 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -75.91 -6.17 49.58 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 117.905 -1.045 . . . . 71.22 109.962 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 49.24 56.91 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 73.4 109.294 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 17.0 p-10 -90.06 -20.93 22.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 65.44 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.14 30.34 3.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 73.1 111.025 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.77 111.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 74.5 110.002 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 47.4 mt -86.56 107.81 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 75.25 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 p -67.37 172.34 5.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 72.13 109.999 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.45 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -72.53 -34.24 67.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 64.35 110.03 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -20.44 61.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 71.3 109.996 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.655 ' O ' HG22 ' A' ' 34' ' ' THR . 46.3 mt-10 -90.71 -46.33 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 75.02 110.276 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.01 HD22 HG13 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -59.26 -41.87 89.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.25 109.345 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.637 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -72.59 -12.32 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 70.5 109.336 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -70.35 -30.45 67.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 74.13 110.384 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.54 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -87.62 -55.89 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 73.44 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.542 ' HE3' ' HB2' ' A' ' 472' ' ' PHE . 68.2 mtp -38.73 -56.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 75.22 111.004 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 5.3 ptp180 -62.82 -35.12 78.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 61.24 110.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -55.85 -36.79 67.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 52.15 110.035 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.958 HD13 HG23 ' A' ' 465' ' ' ILE . 11.6 mt -71.63 -19.12 62.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 53.54 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.34 5.8 9.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.548 1.155 . . . . 64.01 110.968 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.401 HD11 ' OG ' ' A' ' 469' ' ' SER . 17.0 mt -81.53 -174.48 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 73.44 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.462 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 20.1 t -163.32 61.41 1.03 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 51.33 110.036 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.556 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.99 147.91 34.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 62.02 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -91.91 140.46 29.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 61.4 110.025 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.3 tt0 -46.22 -28.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 75.13 110.274 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.83 77.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 65.11 109.292 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' HB3' HD21 ' A' ' 475' ' ' LEU . 2.5 mm-40 -75.2 -51.36 13.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 54.2 110.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.01 HG13 HD22 ' A' ' 32' ' ' LEU . 51.8 t -40.59 -39.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 70.14 109.298 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 93.0 m-20 -65.02 -61.36 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 70.54 109.312 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -15.14 11.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 73.02 109.26 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -78.22 -55.94 4.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 75.53 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.543 ' CB ' HD11 ' A' ' 63' ' ' ILE . 8.0 ptm -77.75 -14.59 59.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 74.12 111.032 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 8.0 m-20 -82.55 -9.81 59.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 73.44 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.485 ' C ' HD13 ' A' ' 55' ' ' ILE . 47.3 mt-10 -85.7 -12.84 50.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 72.35 110.3 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.875 HG21 ' HB2' ' A' ' 71' ' ' LEU . 1.9 mm -117.52 -38.25 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 64.12 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.2 t0 -37.37 114.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 72.23 109.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 89.5 t -90.27 -17.32 8.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 123.642 1.687 . . . . 44.23 109.364 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 47.4 p-10 -109.57 -6.17 15.47 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.892 -1.051 . . . . 60.13 109.965 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.69 42.41 77.63 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 73.14 111.045 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.405 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 39.9 p-10 -97.25 12.37 33.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 71.44 109.327 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.67 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 29.8 t60 64.97 30.65 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 71.23 109.648 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.45 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 38.9 mt-30 -150.48 -177.77 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 74.31 110.322 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.543 HD11 ' CB ' ' A' ' 52' ' ' MET . 0.3 OUTLIER -130.14 126.45 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 72.02 109.326 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.07 175.29 6.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 75.25 110.319 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 1.163 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 4.6 t80 -75.93 -10.57 59.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.04 111.033 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.533 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 58.7 m -95.16 -28.75 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 74.33 109.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 11.1 mt-10 -87.82 -48.62 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 62.23 110.259 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -59.05 -43.06 91.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 72.31 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.1 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -70.16 -24.64 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 63.14 109.338 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.1 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -86.13 -15.38 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 65.25 109.339 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.974 HD21 ' SD ' ' A' ' 471' ' ' MET . 8.9 tp -71.31 -50.09 36.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 62.32 109.277 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -56.55 -16.76 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 70.4 110.993 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -100.98 -16.39 17.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 65.23 109.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.34 110.313 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.058 HD22 HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.319 -0.623 . . . . 75.43 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.69 -35.46 74.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 64.22 109.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.524 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 28.3 mm-40 -66.56 -36.54 82.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 72.13 110.33 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.903 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -90.18 -12.87 36.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 65.11 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' LEU . 16.6 t80 -75.69 -63.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 75.24 110.988 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -10.0 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.22 109.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 1.8 t -84.0 -47.28 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 72.14 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.796 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.9 m-85 -73.93 -38.51 64.26 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.596 1.665 . . . . 74.43 111.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.12 102.18 4.83 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.928 -1.034 . . . . 72.41 110.0 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.08 -32.83 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 75.23 109.269 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.99 -44.51 30.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 72.52 109.288 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.58 75.92 1.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 74.45 111.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.64 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -130.63 4.69 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 71.12 109.297 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 136' ' ' ASN . . . 81.11 6.09 89.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 61.05 110.96 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.792 HD23 ' HB3' ' A' ' 136' ' ' ASN . 1.4 mt -142.31 121.32 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 45.4 109.277 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.596 HD13 ' CB ' ' A' ' 92' ' ' PHE . 53.9 mt -83.71 107.09 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 41.12 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.4 t -70.13 174.29 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 71.31 110.023 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.557 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -50.91 -66.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 75.15 109.256 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.469 ' C ' ' N ' ' A' ' 105' ' ' LEU . . . -43.77 -64.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 75.24 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 100' ' ' ILE . 79.3 mt-10 -41.03 -25.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 75.21 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.74 ' CD1' HD11 ' A' ' 135' ' ' ILE . 1.0 OUTLIER -94.46 -73.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 75.12 109.325 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.49 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -42.69 -56.45 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 71.3 109.323 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.66 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -48.63 -36.66 16.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 72.42 109.595 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.796 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -73.04 -42.11 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 64.42 109.252 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.577 HD23 HD23 ' A' ' 105' ' ' LEU . 1.1 mm? -61.07 -34.91 75.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 65.55 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -76.16 -30.37 58.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 73.45 110.371 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -14.24 29.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 63.11 109.974 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.812 HG21 HD11 ' A' ' 465' ' ' ILE . 16.7 pt -110.63 -33.15 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 75.14 109.323 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.22 -39.16 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.455 1.097 . . . . 75.52 111.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.472 ' CB ' HD12 ' A' ' 109' ' ' LEU . 20.9 mm-40 -50.28 114.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 64.21 110.318 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -113.28 97.99 6.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 72.4 109.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 120' ' ' GLU . 5.5 mp -113.13 142.69 45.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 74.43 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLU . 20.9 p -70.85 148.24 48.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 62.33 110.388 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -43.84 -29.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 64.04 109.318 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 117' ' ' THR . . . -80.25 -46.73 15.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 55.31 109.26 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.542 ' HB3' HD23 ' A' ' 116' ' ' LEU . 45.8 mm-40 -55.02 -45.33 75.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 63.24 110.342 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 122' ' ' ASP . 7.6 p -72.64 -53.63 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 73.05 109.259 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.553 ' N ' HG13 ' A' ' 121' ' ' VAL . 8.0 t70 -49.32 -23.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 74.33 109.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 121' ' ' VAL . 1.5 t70 -90.92 -33.92 15.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 73.12 109.281 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 121' ' ' VAL . 27.1 ttm -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 70.3 110.97 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' A' ' 102' ' ' ALA . 6.1 mt -70.0 -52.14 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.03 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 125' ' ' LEU . 34.7 mtt180 -36.99 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 72.22 110.318 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 125' ' ' LEU . 51.1 mt-10 -46.54 -50.63 16.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 71.01 110.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.517 HG11 ' CB ' ' A' ' 142' ' ' ALA . 21.1 m -132.82 14.98 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 71.35 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.4 p -99.12 -13.61 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 64.42 110.011 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 46.3 t0 59.05 24.97 13.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 64.23 109.314 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.82 -5.78 60.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 34.14 110.999 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' A' ' 133' ' ' GLY . 24.0 p -45.91 -68.61 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 74.21 110.004 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.484 ' N ' ' OG ' ' A' ' 132' ' ' SER . . . 138.27 -7.84 3.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 73.42 111.011 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.452 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 23.3 mt-10 -147.39 158.24 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 70.2 110.3 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.74 HD11 ' CD1' ' A' ' 105' ' ' LEU . 4.0 pt -125.39 122.48 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.12 109.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.792 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.12 177.63 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 72.52 109.292 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.716 HD12 HD12 ' A' ' 85' ' ' LEU . 8.8 tp -49.56 -22.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 61.42 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 136' ' ' ASN . 2.8 mm-40 -84.61 -56.87 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 60.21 110.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.638 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 25.5 mt-30 -66.01 -57.26 8.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 73.33 110.296 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 85' ' ' LEU . 17.2 t80 -44.74 -46.11 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 64.23 110.998 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.757 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -58.82 -33.35 70.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 42.33 109.305 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -51.82 -43.43 63.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 71.44 109.26 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.0 -45.71 87.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 72.1 109.346 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.058 HD12 HD22 ' A' ' 85' ' ' LEU . 7.9 mt -70.9 -6.98 42.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.24 109.25 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 75.32 109.968 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 49.2 mmt-85 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.339 -0.245 . . . . 74.41 110.339 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.525 ' CB ' ' NH2' ' A' ' 459' ' ' ARG . 0.0 OUTLIER -61.32 -17.81 55.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.03 109.29 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.88 -15.87 27.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 71.53 109.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.6 OUTLIER -69.13 -45.37 70.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 74.1 109.267 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.525 ' NH2' ' CB ' ' A' ' 456' ' ' LYS . 1.3 ptp85 -74.08 -26.24 60.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 73.23 110.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.598 ' HA ' HD12 ' A' ' 463' ' ' LEU . 10.1 t30 -62.14 -34.3 76.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 75.24 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.899 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -60.03 -26.4 66.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 75.52 109.313 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.65 HG23 ' HE1' ' A' ' 92' ' ' PHE . 15.8 mt -89.65 -37.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 71.33 109.345 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 460' ' ' ASN . 93.0 mt -42.41 -46.73 4.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 75.34 109.254 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.899 ' O ' HG22 ' A' ' 468' ' ' VAL . . . -70.46 -59.71 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 75.32 109.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 0.958 HG23 HD13 ' A' ' 39' ' ' LEU . 90.1 mt -39.29 -31.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 65.3 109.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.903 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -85.98 -70.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 63.41 109.271 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 469' ' ' SER . 6.5 mttp -42.93 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 74.11 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 464' ' ' ALA . 4.5 m -38.49 -31.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 71.33 109.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -77.6 -52.86 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 72.13 110.027 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -53.41 -42.9 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 73.34 110.308 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.974 ' SD ' HD21 ' A' ' 71' ' ' LEU . 4.7 mtp -49.46 -22.46 1.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 61.23 111.017 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 11.0 t80 -90.13 -26.79 20.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 72.54 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 470' ' ' ARG . 0.9 OUTLIER -90.75 -3.42 57.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 70.01 109.968 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 471' ' ' MET . 8.8 p -106.52 -49.76 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 74.31 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.471 ' N ' HG13 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -41.81 -36.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 63.21 109.311 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.41 110.304 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.6 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.393 -0.225 . . . . 74.44 110.393 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -47.54 -29.71 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 74.51 110.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.82 -33.68 57.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 72.12 110.252 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' THR . 26.2 mm100 -69.41 -37.13 77.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 70.24 110.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.148 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -63.19 -20.29 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.24 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.03 -15.48 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 73.32 109.279 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 34.2 mt-10 -81.36 -62.06 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 70.12 110.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -51.35 -19.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 73.41 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.3 mttt -56.15 -46.26 79.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 72.04 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.625 ' CD ' ' HB1' ' A' ' 457' ' ' ALA . 13.3 mt-10 -57.82 -31.13 66.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 61.33 110.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.912 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -77.52 -16.27 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 64.45 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.469 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 16.4 t80 -83.75 -34.46 24.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 54.43 110.994 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.86 -19.48 65.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 63.44 109.255 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.75 HD21 ' HG2' ' A' ' 461' ' ' LYS . 47.0 mt -52.31 -38.62 59.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 72.1 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 26.4 m-85 -106.45 -51.82 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 62.25 110.999 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -51.01 92.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 75.21 109.251 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.616 ' CE ' HG21 ' A' ' 34' ' ' THR . 24.2 mmtt -68.58 -67.68 0.45 Allowed 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 123.665 1.698 . . . . 70.04 109.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -76.23 -15.24 60.07 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.901 -1.047 . . . . 71.33 109.983 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 62.62 63.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 71.21 109.299 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.7 p30 -97.16 -15.64 20.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 53.31 109.293 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.433 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 100.16 31.64 5.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 63.11 111.057 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.34 111.67 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 74.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 31.8 mt -89.11 104.72 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 72.21 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -69.56 179.68 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.0 109.96 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.29 -37.25 74.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 73.02 109.991 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -19.34 62.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 64.5 109.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 34' ' ' THR . 34.5 mt-10 -90.48 -47.71 7.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 74.11 110.269 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.928 HD22 HG13 ' A' ' 48' ' ' VAL . 3.4 tt -59.41 -50.4 74.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 60.4 109.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.579 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -66.13 -12.42 55.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 72.34 109.275 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.616 HG21 ' CE ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -70.43 -27.52 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 73.42 110.364 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -90.25 -53.95 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 61.22 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.651 ' CE ' HD13 ' A' ' 41' ' ' LEU . 81.5 mmm -42.0 -51.08 4.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.33 111.026 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' SER . 16.9 ptp180 -65.44 -40.27 93.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 73.5 110.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 72.5 m -54.73 -29.42 53.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 63.32 109.998 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.076 HD13 HG23 ' A' ' 465' ' ' ILE . 14.0 mt -81.46 -21.85 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 72.21 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.01 3.35 8.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 75.42 111.017 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.651 HD13 ' CE ' ' A' ' 36' ' ' MET . 16.5 mt -78.7 -175.72 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 64.55 109.273 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.468 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.3 t -162.56 61.1 1.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.04 110.001 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.03 142.71 28.1 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 75.33 111.001 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.99 141.85 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 71.41 109.953 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 36.6 tt0 -44.48 -30.08 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 75.42 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.99 -50.55 73.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 65.33 109.291 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.508 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.2 mt-10 -77.41 -51.33 10.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 70.55 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.928 HG13 HD22 ' A' ' 32' ' ' LEU . 73.0 t -40.61 -34.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 74.4 109.284 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' ASN . 88.0 m-20 -66.17 -66.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.15 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -54.09 -18.8 4.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 73.34 109.272 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 471' ' ' MET . 0.2 OUTLIER -76.09 -55.67 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 72.12 109.338 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 49' ' ' ASN . 10.4 ptm -79.95 -8.17 59.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 62.44 111.017 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' ASN . 3.1 m-80 -88.21 -8.26 55.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.45 109.324 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 1.018 ' C ' HD13 ' A' ' 55' ' ' ILE . 1.3 mt-10 -92.99 -9.13 41.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 55.32 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 1.018 HD13 ' C ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -114.85 -43.7 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 74.33 109.313 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.485 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 6.4 t0 -37.6 113.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 73.44 109.298 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.472 HG12 ' OE1' ' A' ' 67' ' ' GLU . 2.1 p -93.96 -26.69 4.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-O 123.645 1.688 . . . . 65.51 109.278 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 55.1 p30 -94.86 -9.8 33.24 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.937 -1.03 . . . . 73.11 109.996 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 63.85 38.99 96.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 40.54 110.972 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.485 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 33.6 p-10 -101.16 21.3 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 70.14 109.331 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 59.2 t-80 51.49 43.85 29.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 70.14 109.573 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 41.5 mt-30 -159.06 179.79 8.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 75.4 110.265 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.16 124.48 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.31 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 10.7 mt-10 -96.48 174.48 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.44 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 1.148 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 2.9 t80 -75.39 -11.57 60.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 75.12 111.041 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 8.6 t -91.07 -32.57 15.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.1 109.981 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.472 ' OE1' HG12 ' A' ' 57' ' ' VAL . 6.1 mt-10 -85.5 -47.57 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.21 110.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -58.66 -43.53 89.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 74.22 111.028 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.095 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -74.28 -21.4 59.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 73.14 109.313 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.095 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -84.53 -15.45 45.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 64.41 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.551 ' CD1' HD12 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -76.97 -53.62 7.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 72.24 109.272 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -46.81 -22.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.42 111.004 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -114.17 37.93 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 64.24 109.999 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LEU . 4.5 ttt-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.31 110.259 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.81 ' HG ' ' HB2' ' A' ' 141' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.293 -0.632 . . . . 75.41 109.293 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 87' ' ' GLU . 3.7 pp -57.15 -43.5 82.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.44 109.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.451 ' N ' HD12 ' A' ' 86' ' ' LEU . 32.0 mm-40 -56.48 -39.53 73.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 61.31 110.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.848 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -90.99 -12.34 36.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 75.2 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 85' ' ' LEU . 48.4 t80 -71.87 -55.64 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 75.34 111.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -1.24 21.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 65.34 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -96.3 -35.72 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 74.42 109.293 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.795 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.6 m-85 -86.48 -35.36 19.67 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 123.634 1.683 . . . . 72.22 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -76.09 101.06 5.17 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 117.897 -1.049 . . . . 71.55 109.948 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -31.97 19.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 73.43 109.276 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.31 -51.04 12.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 73.24 109.271 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 94.26 67.72 1.04 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 74.32 111.011 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.681 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -127.15 3.0 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 60.31 109.317 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.877 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 77.58 18.09 78.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 52.05 111.036 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.877 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.0 mt -149.88 115.84 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 74.41 109.319 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.624 HD13 ' CB ' ' A' ' 92' ' ' PHE . 55.9 mt -79.61 103.61 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 75.24 109.32 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 133' ' ' GLY . 38.7 t -72.06 173.4 8.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 63.03 110.028 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.633 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -45.63 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 71.24 109.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.443 ' C ' ' N ' ' A' ' 105' ' ' LEU . . . -41.68 -66.39 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 74.44 109.349 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -40.69 -27.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 65.13 110.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.776 HD12 ' HE2' ' A' ' 92' ' ' PHE . 41.9 tp -90.56 -73.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 63.31 109.339 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.554 ' CB ' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.44 -61.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 75.12 109.286 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.694 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.53 -41.98 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 71.1 109.616 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.795 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.7 t -68.95 -39.56 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 71.21 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.041 HD12 HD12 ' A' ' 116' ' ' LEU . 1.1 mt -61.8 -37.51 84.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.43 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.914 HG23 ' HG2' ' A' ' 115' ' ' LYS . 52.1 m -75.13 -8.04 55.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 75.13 110.377 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.722 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -84.34 -19.63 33.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 64.45 110.023 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.027 HG21 HD11 ' A' ' 465' ' ' ILE . 5.8 pt -92.47 -26.05 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 75.34 109.292 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 129.13 1.09 5.82 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.488 1.117 . . . . 72.45 111.031 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.826 ' OE1' HD13 ' A' ' 109' ' ' LEU . 3.6 pt-20 -112.05 121.81 46.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 54.35 110.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.914 ' HG2' HG23 ' A' ' 110' ' ' THR . 5.2 mtmm -109.87 110.64 21.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 74.23 109.318 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 1.041 HD12 HD12 ' A' ' 109' ' ' LEU . 75.3 mt -96.75 138.02 34.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 61.22 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' GLU . 45.4 p -60.47 145.25 49.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 64.43 110.399 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 2.0 m-20 -42.68 -33.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 75.14 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 123' ' ' ASP . . . -77.82 -45.02 25.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 73.52 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' THR . 17.3 mm-40 -54.24 -44.08 71.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 41.25 110.331 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' A' ' 106' ' ' LYS . 7.9 p -78.5 -52.31 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 55.52 109.283 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.558 ' HA ' HD12 ' A' ' 125' ' ' LEU . 23.0 t70 -55.85 -21.19 18.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 61.12 109.308 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 119' ' ' ALA . 7.1 t0 -91.22 -36.0 14.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 63.43 109.302 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.527 ' O ' HD21 ' A' ' 143' ' ' LEU . 18.5 ttm -61.6 -32.77 72.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 71.15 111.036 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.633 HD11 ' HA ' ' A' ' 102' ' ' ALA . 4.7 mt -68.89 -56.99 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 65.33 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 125' ' ' LEU . 25.6 mtt-85 -37.3 -30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 74.31 110.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.4 mm-40 -45.9 -50.69 14.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 71.5 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.655 HG11 ' CB ' ' A' ' 142' ' ' ALA . 31.0 m -132.7 13.67 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 61.32 109.34 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.0 p -98.47 8.27 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 71.23 110.003 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 129' ' ' SER . 27.4 t70 39.58 45.2 1.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 72.34 109.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.04 45.71 71.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 23.03 110.985 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 129' ' ' SER . 40.8 t -101.71 -74.17 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.767 . . . . 74.11 110.011 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 101' ' ' SER . . . 147.07 -15.17 1.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 64.3 110.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -134.56 156.71 48.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 55.21 110.339 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.422 ' HB ' ' N ' ' A' ' 140' ' ' PHE . 2.4 pt -127.53 113.76 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 71.23 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.61 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -70.89 -173.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 62.4 109.313 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.658 HD12 HD12 ' A' ' 85' ' ' LEU . 4.7 tp -60.58 -24.54 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 73.41 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.455 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 4.2 mm-40 -83.74 -57.11 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 74.33 110.303 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.574 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 24.4 mt-30 -59.39 -53.84 53.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 55.13 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.494 ' CD2' HD13 ' A' ' 85' ' ' LEU . 11.4 t80 -47.55 -37.27 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.45 111.01 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.81 ' HB2' ' HG ' ' A' ' 85' ' ' LEU . . . -74.06 -28.71 61.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 73.02 109.339 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.655 ' CB ' HG11 ' A' ' 128' ' ' VAL . . . -53.76 -47.11 71.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 61.45 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.527 HD21 ' O ' ' A' ' 124' ' ' MET . 0.8 OUTLIER -58.63 -42.06 87.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 72.14 109.285 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.776 HD12 HD22 ' A' ' 85' ' ' LEU . 4.6 mt -68.1 -14.89 63.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 73.22 109.27 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 43.25 110.011 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 44.2 mmt-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.303 -0.258 . . . . 72.4 110.303 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.448 ' HA ' ' NH2' ' A' ' 459' ' ' ARG . 4.5 ptpt -61.95 -27.76 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 73.44 109.315 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . 0.625 ' HB1' ' CD ' ' A' ' 14' ' ' GLU . . . -82.76 -19.22 38.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 74.23 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.507 HD11 ' HE1' ' A' ' 124' ' ' MET . 0.2 OUTLIER -64.72 -59.35 4.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 75.31 109.317 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.73 ' O ' HD13 ' A' ' 463' ' ' LEU . 2.0 ptp85 -59.44 -25.4 64.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 72.22 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.481 ' OD1' ' HB2' ' A' ' 15' ' ' ALA . 6.9 t30 -70.74 -32.22 69.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 64.33 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.75 ' HG2' HD21 ' A' ' 18' ' ' LEU . 2.9 ttmt -56.88 -26.24 58.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 75.12 109.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.784 HG23 ' CE1' ' A' ' 92' ' ' PHE . 39.9 mt -89.51 -29.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 73.45 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.73 HD13 ' O ' ' A' ' 459' ' ' ARG . 6.3 mp -52.76 -59.71 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 73.52 109.24 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.912 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -51.89 -58.14 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 51.33 109.311 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.076 HG23 HD13 ' A' ' 39' ' ' LEU . 43.1 mt -44.56 -26.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 72.43 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.848 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -85.89 -72.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 74.44 109.346 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.697 ' HZ2' ' HG ' ' A' ' 463' ' ' LEU . 1.7 mptt -44.22 -64.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 63.53 109.291 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.8 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 34.3 t -44.93 -45.26 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.43 109.327 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 12.1 t -64.25 -32.62 74.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 74.51 109.97 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.5 OUTLIER -71.58 -40.56 69.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 74.43 110.281 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.598 ' HB3' HD21 ' A' ' 51' ' ' LEU . 5.3 mtm -47.46 -28.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 64.23 111.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 13.7 t80 -88.25 -26.02 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 73.11 111.048 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 470' ' ' ARG . 4.1 m -89.09 -2.07 58.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 62.5 110.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 475' ' ' LEU . 11.7 p -111.34 -48.57 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 65.52 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -39.17 -36.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 62.25 109.308 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 52.33 110.327 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.414 -0.217 . . . . 53.14 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -56.63 -20.58 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 74.15 110.266 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -83.92 -23.73 31.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 74.01 110.293 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.407 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 9.3 mm100 -81.07 -34.72 32.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 61.11 110.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.864 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 2.0 mm -61.88 -28.03 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 73.44 109.312 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.59 -12.19 60.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 64.32 109.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.498 ' OE1' ' HB2' ' A' ' 457' ' ' ALA . 22.8 mm-40 -81.08 -64.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 72.32 110.298 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -44.97 -25.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 63.24 110.958 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.0 mttt -55.84 -45.5 78.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 71.41 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.13 -37.58 80.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 64.33 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -75.02 -15.16 60.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 60.01 109.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.5 t80 -79.72 -46.49 16.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 73.12 111.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' LEU . . . -53.33 -29.65 35.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 65.25 109.319 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.905 HD21 ' HG2' ' A' ' 461' ' ' LYS . 84.2 mt -39.78 -42.18 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 73.42 109.286 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.636 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 21.8 m-85 -109.64 -39.06 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 70.35 110.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -66.77 84.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 62.32 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.632 ' HE3' HG21 ' A' ' 34' ' ' THR . 21.0 mmtt -65.39 -67.37 0.45 Allowed 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.605 1.669 . . . . 73.2 109.345 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -73.2 -16.71 61.41 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 117.942 -1.028 . . . . 63.31 110.015 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 63.1 62.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 73.12 109.299 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 19.7 p30 -99.24 -3.6 33.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 75.44 109.25 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.1 32.88 19.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 74.51 110.947 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.91 111.75 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 0.741 . . . . 71.11 110.026 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' ' 19' ' ' PHE . 30.4 mt -91.68 101.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 72.42 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 p -68.92 164.01 23.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.43 109.981 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -41.44 71.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 44.43 110.0 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -18.21 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 73.14 109.981 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.657 ' O ' HG22 ' A' ' 34' ' ' THR . 48.2 mt-10 -90.45 -49.21 6.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 64.25 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.139 HD22 HG13 ' A' ' 48' ' ' VAL . 1.3 tt -58.26 -42.52 86.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 72.22 109.33 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -71.88 -12.7 61.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 45.42 109.307 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -71.77 -29.07 64.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 61.2 110.358 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.545 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -91.13 -60.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 64.02 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.756 ' CE ' HD13 ' A' ' 41' ' ' LEU . 80.9 mmm -37.24 -52.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.34 110.997 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' SER . 11.8 ptp180 -62.86 -42.19 99.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 65.02 110.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' VAL . 74.1 m -58.59 -26.73 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 65.21 109.972 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.048 HD13 HG23 ' A' ' 465' ' ' ILE . 14.5 mt -78.69 -21.19 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 63.34 109.338 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.28 0.42 8.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.137 . . . . 72.55 111.014 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.756 HD13 ' CE ' ' A' ' 36' ' ' MET . 33.8 mt -80.01 -176.71 5.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 52.14 109.283 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.484 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 10.9 t -162.73 60.23 0.98 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 63.44 109.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.94 148.33 35.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 75.42 111.017 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m -91.22 139.84 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 72.43 109.978 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 55.2 tt0 -48.38 -27.11 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 64.11 110.307 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.25 -48.46 75.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 60.54 109.3 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.858 ' HB3' HD21 ' A' ' 475' ' ' LEU . 2.0 mt-10 -76.3 -51.42 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.31 110.314 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.139 HG13 HD22 ' A' ' 32' ' ' LEU . 52.1 t -40.3 -29.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 53.34 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 47' ' ' GLU . 85.1 m-20 -74.55 -66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 62.22 109.319 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.791 ' HB3' HD13 ' A' ' 475' ' ' LEU . 33.0 t0 -49.95 -22.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 70.2 109.322 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.723 ' HB2' HD22 ' A' ' 475' ' ' LEU . 2.8 tt -81.59 -61.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 71.24 109.315 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.464 ' HE2' ' HB2' ' A' ' 52' ' ' MET . 5.2 ptm -63.12 -12.92 30.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 62.1 110.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -88.51 -13.65 39.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 64.55 109.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.693 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.6 mm-40 -81.48 -9.89 59.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.51 110.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.799 HG21 HD22 ' A' ' 71' ' ' LEU . 2.4 mm -117.89 -43.16 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 54.12 109.29 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 7.1 t0 -38.3 119.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 64.11 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.476 ' CG1' ' HG2' ' A' ' 67' ' ' GLU . 2.7 p -92.08 -31.71 4.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 CA-C-O 123.634 1.683 . . . . 74.41 109.27 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.6 p30 -93.03 -6.95 47.11 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.942 -1.028 . . . . 74.43 110.007 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.5 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.16 42.14 87.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 63.32 111.009 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.41 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 38.0 p-10 -97.39 12.49 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 73.1 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.684 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 26.4 t60 64.35 32.65 11.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 62.14 109.621 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 42.1 mt-30 -153.07 -176.76 5.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.41 110.327 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.3 126.31 61.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 73.34 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.472 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 1.2 tt0 -94.71 174.62 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 73.44 110.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.864 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.4 t80 -73.74 -13.45 60.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 73.03 111.007 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.1 t -89.17 -43.85 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 73.43 109.96 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.476 ' HG2' ' CG1' ' A' ' 57' ' ' VAL . 11.5 mt-10 -71.85 -47.65 51.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 62.33 110.319 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -55.05 -43.81 74.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 62.22 110.961 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.779 HD22 HG23 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -72.48 -36.16 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 70.31 109.306 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.62 -14.46 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 75.3 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.903 HD21 ' SD ' ' A' ' 471' ' ' MET . 8.7 tp -76.24 -49.82 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 71.5 109.249 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.486 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.8 OUTLIER -59.73 -42.96 94.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 71.44 111.002 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -6.29 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 54.1 109.965 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.486 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 72.33 110.313 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.977 HD22 HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.294 -0.632 . . . . 70.13 109.294 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 pp -49.1 -40.06 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 64.42 109.305 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 25.5 mm-40 -69.55 -60.04 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.13 110.253 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -60.54 -13.8 16.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 53.31 109.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 85' ' ' LEU . 47.5 t80 -85.61 -45.18 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 70.13 111.007 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -81.47 -3.18 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 63.42 109.299 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -98.48 -42.37 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.12 109.31 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.932 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.0 m-85 -69.81 -38.33 76.58 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.57 1.653 . . . . 73.04 111.01 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.7 100.67 2.88 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.899 -1.048 . . . . 63.33 110.002 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.28 -31.81 20.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 55.24 109.302 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.456 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -77.37 -45.8 24.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 64.44 109.282 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.58 77.06 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 73.42 111.016 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.684 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.07 10.21 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 72.41 109.294 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.863 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.53 19.34 74.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 72.14 111.038 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.3 mt -149.9 110.99 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 63.23 109.287 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.599 HD13 ' CB ' ' A' ' 92' ' ' PHE . 60.7 mt -76.29 103.75 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 61.31 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.71 177.19 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 62.15 110.027 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -47.18 -70.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 63.32 109.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -40.04 -66.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 51.33 109.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 37.0 mt-10 -38.45 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 64.14 110.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.768 HD23 HG23 ' A' ' 121' ' ' VAL . 4.0 tp -93.32 -72.96 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 72.42 109.271 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.632 ' HD2' HG11 ' A' ' 121' ' ' VAL . 18.7 ptmt -46.03 -57.42 4.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 73.41 109.287 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.589 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -48.39 -41.24 28.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 61.31 109.606 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.932 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -64.04 -55.41 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 61.2 109.256 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 109' ' ' LEU . 1.9 mm? -59.19 -22.83 61.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 73.21 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.6 m -84.81 -17.34 38.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 73.41 110.383 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.7 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -75.94 -12.98 60.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 52.21 109.994 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 465' ' ' ILE . 6.2 pt -108.24 -30.32 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 74.32 109.251 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 146.78 -30.92 1.51 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 23.23 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.441 ' HG3' ' CD ' ' A' ' 461' ' ' LYS . 13.1 mt-10 -64.55 110.45 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.746 . . . . 74.1 110.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -114.25 91.97 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 52.2 109.275 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.824 HD23 ' HB3' ' A' ' 120' ' ' GLU . 2.6 mp -88.87 135.9 33.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 65.43 109.324 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 120' ' ' GLU . 74.9 p -64.85 153.62 39.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 71.54 110.39 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 25.3 t70 -45.43 -40.32 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 65.21 109.313 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 123' ' ' ASP . . . -68.4 -39.07 81.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 75.14 109.269 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.824 ' HB3' HD23 ' A' ' 116' ' ' LEU . 14.4 mm-40 -63.79 -60.08 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 72.11 110.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.768 HG23 HD23 ' A' ' 105' ' ' LEU . 7.8 p -59.19 -56.34 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 74.53 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.556 ' N ' HG13 ' A' ' 121' ' ' VAL . 10.7 t70 -52.67 -21.97 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 71.02 109.254 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 3.8 t70 -91.73 -28.63 17.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 75.25 109.271 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.514 ' O ' ' CG ' ' A' ' 127' ' ' GLU . 15.6 tpp -66.9 -41.47 87.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 62.33 111.001 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 127' ' ' GLU . 10.7 mt -60.31 -55.25 35.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 61.41 109.317 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 19.1 mtt-85 -37.75 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 74.42 110.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 124' ' ' MET . 94.6 mt-10 -44.87 -49.25 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 55.32 110.315 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.546 HG22 HD21 ' A' ' 143' ' ' LEU . 33.5 m -132.03 10.34 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 41.44 109.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 132' ' ' SER . 1.5 p -97.74 3.25 50.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 53.24 110.034 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.9 t70 40.67 32.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 73.4 109.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.77 46.62 60.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 72.55 111.011 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 129' ' ' SER . 1.1 m -97.06 -72.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 62.54 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 147.31 -14.52 1.45 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 62.52 110.968 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 27.0 mt-10 -146.28 163.36 35.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 72.2 110.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.567 ' CD1' HD11 ' A' ' 143' ' ' LEU . 5.2 pt -131.31 131.1 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 74.42 109.298 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.509 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -97.06 -176.39 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 50.54 109.263 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.776 HG23 HE21 ' A' ' 138' ' ' GLN . 3.3 tp -53.44 -20.2 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 73.34 109.262 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.776 HE21 HG23 ' A' ' 137' ' ' ILE . 7.1 mm-40 -86.61 -55.33 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 71.24 110.323 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 29.4 mt-30 -65.35 -57.85 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 73.23 110.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.726 ' CE2' HD13 ' A' ' 85' ' ' LEU . 17.9 t80 -44.77 -46.47 10.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 74.01 111.028 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.707 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -62.19 -31.89 72.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 72.1 109.252 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -58.75 -19.67 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 64.44 109.298 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 135' ' ' ILE . 85.7 mt -72.55 -66.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 62.34 109.291 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.977 HD12 HD22 ' A' ' 85' ' ' LEU . 10.0 mt -49.58 -22.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.42 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 143' ' ' LEU . 72.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 64.44 109.991 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.256 -0.276 . . . . 73.44 110.256 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 456' ' ' LYS . 0.0 OUTLIER -60.27 -19.42 54.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 75.43 109.263 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . 0.498 ' HB2' ' OE1' ' A' ' 11' ' ' GLU . . . -92.5 -17.65 24.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 52.03 109.283 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -52.14 65.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 43.32 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.492 ' O ' HD13 ' A' ' 463' ' ' LEU . 3.6 ptp180 -73.51 -25.71 60.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 74.14 110.293 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.676 ' HA ' HD22 ' A' ' 463' ' ' LEU . 11.7 t30 -58.07 -31.26 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 71.31 109.311 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.905 ' HG2' HD21 ' A' ' 18' ' ' LEU . 4.8 ttmt -59.98 -25.35 65.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 72.45 109.253 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.719 HG23 ' HE1' ' A' ' 92' ' ' PHE . 39.2 mt -88.05 -34.25 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 60.33 109.301 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.676 HD22 ' HA ' ' A' ' 460' ' ' ASN . 3.3 mp -48.73 -45.09 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 50.43 109.31 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.86 ' O ' HG22 ' A' ' 468' ' ' VAL . . . -72.05 -53.36 13.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 65.33 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.048 HG23 HD13 ' A' ' 39' ' ' LEU . 24.9 mt -48.21 -24.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 71.44 109.338 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -84.25 -71.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.11 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 470' ' ' ARG . 5.7 mttp -44.05 -65.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.43 109.34 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.86 HG22 ' O ' ' A' ' 464' ' ' ALA . 7.9 m -38.43 -31.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.32 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -74.31 -53.6 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 54.11 110.017 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 467' ' ' LYS . 1.0 OUTLIER -55.42 -42.17 73.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.13 110.273 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.903 ' SD ' HD21 ' A' ' 71' ' ' LEU . 27.8 mtp -42.97 -49.1 6.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 70.33 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.703 ' HA ' HD12 ' A' ' 51' ' ' LEU . 7.0 t80 -50.54 -36.95 36.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 73.53 111.059 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -75.44 -26.54 58.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 51.52 110.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.443 HG22 HH11 ' A' ' 470' ' ' ARG . 47.3 t -74.68 -51.61 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 64.1 109.315 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.858 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.02 -38.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 52.04 109.272 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 72.41 110.286 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.441 -0.207 . . . . 73.31 110.441 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -52.23 -35.29 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 71.12 110.338 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -70.9 -25.6 62.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -78.34 -36.96 45.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.12 110.253 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.167 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.6 mm -63.38 -21.27 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 73.22 109.302 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.68 -17.55 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 74.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HG3' ' HZ1' ' A' ' 456' ' ' LYS . 23.8 mm-40 -80.03 -66.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 61.01 110.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.424 ' CB ' ' HB2' ' A' ' 69' ' ' LEU . 77.6 m-85 -42.68 -26.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 53.41 110.99 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 12.1 mttt -51.55 -47.56 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.4 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.459 ' HB3' ' CE ' ' A' ' 461' ' ' LYS . 6.6 mm-40 -55.14 -46.4 75.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 74.12 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -66.24 -15.33 63.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 71.14 109.26 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.47 ' CZ ' ' C ' ' A' ' 64' ' ' GLU . 1.4 t80 -85.22 -36.85 20.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 75.42 110.969 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -14.27 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 54.43 109.326 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.807 HD21 ' HG3' ' A' ' 461' ' ' LYS . 38.7 mt -56.74 -40.07 75.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 63.14 109.278 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CD1' HD13 ' A' ' 27' ' ' ILE . 2.4 m-85 -108.83 -45.8 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 74.2 111.031 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.0 92.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 73.15 109.247 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.753 ' HE3' HG21 ' A' ' 34' ' ' THR . 4.8 mmtp -69.73 -67.43 0.49 Allowed 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 123.633 1.682 . . . . 74.12 109.309 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.7 p30 -74.12 -20.4 60.26 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.876 -1.059 . . . . 74.01 109.967 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 m120 69.56 60.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 75.25 109.278 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 23.7 p30 -98.21 -23.13 15.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 61.02 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 105.42 40.87 1.99 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 52.31 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.95 115.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 74.2 109.983 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.639 HD13 ' CD1' ' A' ' 19' ' ' PHE . 95.9 mt -102.29 93.39 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 75.14 109.358 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.452 ' OG ' ' NE2' ' A' ' 61' ' ' HIS . 33.5 t -67.71 -170.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 54.01 109.999 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.446 ' N ' ' OG ' ' A' ' 28' ' ' SER . 30.5 t -74.7 -23.6 58.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 70.04 110.019 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.55 -27.28 58.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 70.3 109.957 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 34' ' ' THR . 83.1 mt-10 -90.86 -37.32 13.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 74.03 110.263 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.877 HD22 HG13 ' A' ' 48' ' ' VAL . 1.3 tt -68.03 -56.94 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 72.14 109.307 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.64 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -64.05 -12.71 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 71.41 109.27 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.753 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -74.65 -35.73 62.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 62.24 110.381 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.56 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.3 t -78.94 -63.84 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.32 109.292 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.654 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 88.7 mtp -38.08 -51.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 73.43 110.979 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -62.12 -40.85 97.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 70.04 110.316 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' VAL . 21.1 p -58.57 -16.37 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 72.54 110.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.996 HD13 HG23 ' A' ' 465' ' ' ILE . 19.2 mt -93.6 -20.33 20.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 72.41 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.33 1.15 8.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 73.23 111.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.638 HD13 ' HE2' ' A' ' 36' ' ' MET . 17.8 mt -77.98 177.73 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 52.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -158.64 59.59 1.54 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 72.41 109.965 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.05 137.93 22.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.821 . . . . 72.52 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -76.48 140.07 41.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 72.31 110.027 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -55.0 -26.6 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 75.12 110.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.88 74.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.43 109.289 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.761 ' HB3' HD21 ' A' ' 475' ' ' LEU . 2.6 mm-40 -74.37 -51.65 14.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 51.14 110.287 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.877 HG13 HD22 ' A' ' 32' ' ' LEU . 45.6 t -39.62 -30.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 63.53 109.245 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.54 ' OD1' ' CE1' ' A' ' 61' ' ' HIS . 72.4 m-20 -74.76 -66.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 73.33 109.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.88 -23.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 70.1 109.311 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.982 ' HB2' HD22 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -75.52 -68.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 73.14 109.272 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.578 ' HE1' ' O ' ' A' ' 61' ' ' HIS . 7.5 ptm -61.4 -12.56 14.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 74.32 110.999 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 1.1 m-80 -78.14 -7.91 57.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 65.1 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' C ' HD13 ' A' ' 55' ' ' ILE . 11.0 mm-40 -99.32 -11.34 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 70.1 110.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.617 HD12 HD13 ' A' ' 71' ' ' LEU . 1.2 mm -108.57 -53.44 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 53.1 109.335 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 6.5 t0 -37.9 122.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 72.03 109.283 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.3 t -81.67 -34.26 12.78 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-O 123.674 1.702 . . . . 74.15 109.335 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 51.9 p30 -97.84 -6.74 31.88 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 117.909 -1.043 . . . . 74.21 109.993 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.48 41.93 93.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 44.45 111.005 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 34.3 p-10 -92.59 13.48 19.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 73.03 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.637 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 43.7 t60 65.85 29.78 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 75.34 109.581 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 47.4 mt-30 -152.24 158.73 43.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 73.42 110.349 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.496 HG22 ' HB2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -108.21 124.0 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 72.44 109.323 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.47 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 7.2 mt-10 -90.0 -178.75 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 42.13 110.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 1.167 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 9.0 t80 -79.21 -10.97 59.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 72.11 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.508 ' C ' HD12 ' A' ' 69' ' ' LEU . 16.7 p -97.14 -27.73 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 63.14 110.007 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -86.55 -53.78 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 62.24 110.324 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.496 ' HB2' HG22 ' A' ' 63' ' ' ILE . 83.9 t80 -55.34 -43.59 75.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 72.13 110.97 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.072 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.71 -24.58 63.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 71.1 109.356 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.072 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -86.44 -15.45 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 64.12 109.331 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.623 HD21 ' SD ' ' A' ' 471' ' ' MET . 54.5 tp -74.36 -53.85 8.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 74.12 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -47.9 -45.0 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 75.01 110.991 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 p -72.89 -22.57 60.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 75.31 110.023 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 72.44 110.269 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.079 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.3 -0.63 . . . . 72.51 109.3 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 pp -53.89 -35.38 61.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.0 mm-40 -67.09 -58.74 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 74.45 110.334 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -64.87 -17.66 64.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 70.23 109.291 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 30.2 t80 -77.11 -57.68 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 72.25 110.986 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -18.96 61.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 71.41 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 87' ' ' GLU . 5.0 t -73.93 -49.37 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 40.33 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.981 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.5 m-85 -67.76 -38.63 83.71 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.656 1.693 . . . . 73.41 110.965 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.468 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.4 OUTLIER -72.67 101.53 3.08 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.872 -1.061 . . . . 75.43 109.941 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -35.8 23.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 62.0 109.286 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.6 OUTLIER -74.63 -46.69 36.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 71.14 109.266 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.92 77.22 1.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 20.1 111.016 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.502 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -133.03 5.61 3.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 63.43 109.273 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.915 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 81.41 14.06 79.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 73.33 110.977 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.915 HD23 ' O ' ' A' ' 98' ' ' GLY . 0.5 OUTLIER -151.0 116.12 5.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 73.14 109.311 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.584 HD13 ' CB ' ' A' ' 92' ' ' PHE . 66.5 mt -76.18 99.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 73.12 109.332 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.1 t -64.12 174.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 31.43 110.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.929 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -47.46 -70.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 71.32 109.265 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.21 -67.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 65.31 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 31.7 mt-10 -37.93 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 73.1 110.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.693 HD23 HD11 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -89.14 -72.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 74.41 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.598 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -47.76 -59.22 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.42 109.309 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.734 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -41.26 -40.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 72.32 109.597 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.981 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.7 t -71.26 -42.81 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 62.21 109.312 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.627 HD23 HD13 ' A' ' 105' ' ' LEU . 1.6 mm? -59.78 -34.48 73.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 63.23 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.7 m -84.85 -14.98 46.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 64.52 110.4 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.27 -0.06 39.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.44 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.941 HG21 HD11 ' A' ' 465' ' ' ILE . 12.5 pt -111.94 -33.56 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 70.32 109.325 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.58 -39.82 1.01 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 60.22 111.029 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.474 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -53.83 171.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 71.3 110.322 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 2.7 mtmp? -148.85 114.31 5.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 73.34 109.274 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.821 HD22 ' HB3' ' A' ' 120' ' ' GLU . 12.9 mt -123.03 133.23 54.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 61.42 109.293 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 120' ' ' GLU . 26.9 p -65.11 145.34 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 75.02 110.395 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -45.46 -27.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 63.41 109.33 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 117' ' ' THR . . . -81.3 -42.85 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 61.33 109.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.821 ' HB3' HD22 ' A' ' 116' ' ' LEU . 5.9 mm-40 -57.38 -43.81 83.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 63.54 110.308 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.598 HG21 ' HG2' ' A' ' 106' ' ' LYS . 10.1 p -72.27 -54.36 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 75.02 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.563 ' N ' HG13 ' A' ' 121' ' ' VAL . 30.8 t70 -47.18 -24.71 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 72.41 109.271 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.414 ' N ' ' C ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -91.48 -36.13 13.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.54 109.3 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.736 ' HE1' HD11 ' A' ' 458' ' ' LEU . 25.6 ttm -58.38 -34.45 70.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 64.03 111.017 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.929 HD11 ' HA ' ' A' ' 102' ' ' ALA . 3.5 mt -70.31 -59.21 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 61.24 109.276 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -39.51 -29.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 71.22 110.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 125' ' ' LEU . 4.0 mm-40 -42.85 -46.31 5.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 62.43 110.276 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.411 HG23 HG22 ' A' ' 135' ' ' ILE . 25.7 m -123.82 -0.69 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 33.52 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.503 ' HA ' ' NE2' ' A' ' 139' ' ' GLN . 0.0 OUTLIER -83.22 -8.42 59.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 72.32 110.015 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.2 t70 60.31 28.5 18.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 74.33 109.271 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 91.28 -8.44 79.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.563 1.165 . . . . 74.42 111.014 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.447 ' N ' ' OG ' ' A' ' 129' ' ' SER . 28.1 t -52.34 -87.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.761 . . . . 73.04 110.013 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.538 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 156.46 -22.19 0.49 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 63.03 111.023 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.414 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 12.5 mt-10 -124.11 172.47 8.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 64.23 110.327 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.693 HD11 HD23 ' A' ' 105' ' ' LEU . 7.0 pt -139.1 125.23 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 74.43 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.524 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -90.6 -176.98 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 64.2 109.253 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.823 HG23 HE21 ' A' ' 138' ' ' GLN . 2.7 tp -54.9 -18.36 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 75.43 109.268 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.823 HE21 HG23 ' A' ' 137' ' ' ILE . 6.0 mm-40 -90.08 -56.44 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 71.44 110.253 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.682 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 25.6 mt-30 -62.67 -54.88 32.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.15 110.353 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.433 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 23.3 t80 -44.21 -47.34 9.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 75.32 110.984 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 1.079 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -62.54 -31.46 72.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.24 109.283 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -51.2 -33.52 27.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 73.22 109.279 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.413 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.9 mt -63.43 -59.09 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.22 109.302 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.697 ' N ' HD23 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -58.05 -17.26 16.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 70.33 109.325 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 62.25 109.994 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 458' ' ' LEU . 65.2 mmt-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.289 -0.263 . . . . 74.45 110.289 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.423 ' HZ1' ' HG3' ' A' ' 11' ' ' GLU . 13.6 ptmt -54.39 -22.29 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 75.15 109.296 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -90.93 -23.88 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 33.31 109.297 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.736 HD11 ' HE1' ' A' ' 124' ' ' MET . 0.5 OUTLIER -73.19 -55.28 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 71.05 109.346 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.677 ' O ' HD13 ' A' ' 463' ' ' LEU . 3.0 ptp180 -62.24 -33.23 74.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 74.13 110.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -57.36 -37.18 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 35.24 109.343 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.807 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.69 -29.3 52.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 74.43 109.247 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.849 HG23 ' CE1' ' A' ' 92' ' ' PHE . 14.7 mt -89.52 -31.11 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 75.33 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 459' ' ' ARG . 9.7 mp -50.27 -60.97 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.13 109.322 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.882 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -50.32 -55.67 14.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 72.01 109.341 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 0.996 HG23 HD13 ' A' ' 39' ' ' LEU . 28.7 mt -49.58 -23.0 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.13 109.333 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 463' ' ' LEU . . . -86.7 -62.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 71.15 109.33 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.43 ' HZ3' ' HG ' ' A' ' 463' ' ' LEU . 0.2 OUTLIER -57.51 -67.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 63.04 109.321 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.543 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 82.9 t -38.96 -34.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 63.22 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -60.5 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.23 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -26.72 38.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.42 110.303 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.623 ' SD ' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -58.06 -25.2 60.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 64.42 111.029 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.654 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 38.1 t80 -88.84 -21.35 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 74.15 111.01 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 31.2 m -95.48 -1.94 49.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.33 109.978 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 471' ' ' MET . 12.0 p -107.65 -46.58 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 54.14 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.982 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.09 -35.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 40.43 109.359 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 70.03 110.345 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.449 -0.204 . . . . 71.41 110.449 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.05 -25.52 21.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 64.54 110.256 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -78.3 -27.18 47.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 73.13 110.321 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -77.27 -35.53 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 64.43 110.271 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.148 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.9 mm -63.42 -20.72 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 75.33 109.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.91 -12.74 60.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 61.43 109.289 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 22.1 mt-10 -85.08 -68.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 74.24 110.28 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -41.54 -27.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 75.1 110.974 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 3.8 mtmt -48.58 -47.93 39.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 72.4 109.297 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.448 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 20.2 mm-40 -55.55 -34.7 64.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 71.04 110.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.778 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -74.56 -19.01 60.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 51.3 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.6 t80 -81.44 -41.64 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 63.01 110.965 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -24.51 62.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 64.23 109.272 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.896 HD21 ' HG2' ' A' ' 461' ' ' LYS . 63.5 mt -45.95 -42.67 13.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 72.51 109.279 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.63 ' HZ ' HG21 ' A' ' 468' ' ' VAL . 2.1 m-85 -109.19 -47.14 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 73.02 111.017 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -54.79 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 73.23 109.301 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.671 ' HE3' HG21 ' A' ' 34' ' ' THR . 8.0 mmtp -65.65 -67.21 0.46 Allowed 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 123.63 1.681 . . . . 70.52 109.313 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -75.14 -10.89 59.89 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.904 -1.046 . . . . 61.13 109.968 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 56.75 56.9 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 72.44 109.306 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 10.7 p30 -89.83 -21.24 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 70.31 109.284 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 106.96 34.3 3.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 52.32 111.024 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.73 112.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 74.4 109.99 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.616 HD13 ' CD1' ' A' ' 19' ' ' PHE . 96.2 mt -92.01 101.77 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 70.34 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.436 ' C ' ' HE1' ' A' ' 52' ' ' MET . 2.3 p -67.05 177.65 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 71.23 110.028 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.495 ' N ' ' HE1' ' A' ' 52' ' ' MET . 13.0 t -68.12 -35.36 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 71.13 110.015 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -22.25 61.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 71.44 109.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 34' ' ' THR . 57.7 mt-10 -90.6 -35.29 15.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 61.12 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.985 HD22 HG13 ' A' ' 48' ' ' VAL . 1.7 tt -72.55 -49.13 34.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 71.4 109.349 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.507 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -70.72 -12.49 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.05 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.671 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -69.74 -25.11 63.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 62.13 110.381 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.549 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -91.48 -60.59 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 71.31 109.25 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.548 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 91.8 mtp -38.22 -54.26 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 73.41 111.02 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 38' ' ' SER . 9.7 ptm180 -58.19 -40.58 81.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.24 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' VAL . 6.5 p -59.11 -27.63 65.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 75.13 109.969 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.111 HD13 HG23 ' A' ' 465' ' ' ILE . 9.8 mt -79.42 -17.82 53.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 71.05 109.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.32 11.57 8.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 33.51 111.016 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.487 HD13 ' HE2' ' A' ' 36' ' ' MET . 16.7 mt -89.4 -176.96 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 64.31 109.291 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.453 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 44.4 t -164.32 61.5 0.9 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 64.44 109.985 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 146.79 33.23 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.78 . . . . 44.32 111.015 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 m -87.6 140.42 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 64.12 109.978 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 51.5 tt0 -48.45 -27.93 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 73.14 110.293 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.14 -49.23 76.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 64.43 109.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.5 mt-10 -75.85 -51.21 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 71.32 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.985 HG13 HD22 ' A' ' 32' ' ' LEU . 55.6 t -40.81 -37.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 61.31 109.257 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 93.0 m-20 -63.94 -63.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 73.4 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -14.26 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 73.42 109.264 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.756 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.5 tm? -78.66 -53.79 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 72.34 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.556 ' HB3' HD13 ' A' ' 32' ' ' LEU . 7.0 ptm -80.29 -14.39 58.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 72.35 110.974 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -86.6 -8.06 57.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 72.43 109.31 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.576 ' C ' HD13 ' A' ' 55' ' ' ILE . 5.2 mm-40 -84.75 -12.95 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 71.45 110.27 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.628 HG21 ' HB2' ' A' ' 71' ' ' LEU . 2.4 mm -117.57 -39.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 53.44 109.343 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.4 t0 -37.85 121.32 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 44.42 109.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -81.8 -24.72 9.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 CA-C-O 123.625 1.679 . . . . 75.12 109.298 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.6 p30 -109.06 -6.38 15.66 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.902 -1.047 . . . . 74.24 109.99 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 55.9 42.52 86.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 71.45 111.041 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.1 p-10 -92.81 13.65 19.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 74.45 109.267 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.652 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 39.5 t60 65.8 31.67 9.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 72.44 109.61 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.452 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 48.1 mt-30 -154.64 158.54 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 73.42 110.247 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.507 HG22 ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -110.68 125.16 67.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 71.42 109.297 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -90.53 -175.9 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 62.15 110.325 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 1.148 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 7.1 t80 -82.52 -10.66 58.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 52.02 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 3.2 m -96.65 -29.36 13.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 42.55 109.991 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -86.0 -53.19 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 74.14 110.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' HB2' HG22 ' A' ' 63' ' ' ILE . 87.7 t80 -55.59 -44.6 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 72.14 111.025 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.088 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.08 -24.03 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.42 109.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.088 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -84.55 -15.38 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 65.14 109.293 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.715 HD21 ' SD ' ' A' ' 471' ' ' MET . 48.6 tp -72.97 -50.41 23.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 73.11 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -61.25 -12.92 15.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 71.23 110.963 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 p -115.23 1.2 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.52 110.039 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.15 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.834 ' HB3' HD11 ' A' ' 137' ' ' ILE . 8.3 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.294 -0.632 . . . . 61.52 109.294 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.01 -36.86 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 60.03 109.33 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.632 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.1 mm-40 -65.62 -58.09 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 71.12 110.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.928 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -65.58 -18.54 65.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 75.31 109.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.477 ' HA ' HD11 ' A' ' 100' ' ' ILE . 11.7 t80 -76.06 -63.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 74.55 111.019 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -63.43 -34.84 78.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 71.42 109.316 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 87' ' ' GLU . 12.3 t -57.98 -53.77 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 74.4 109.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.977 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.1 m-85 -64.69 -39.72 94.15 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 123.597 1.665 . . . . 75.05 110.97 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.09 98.03 2.03 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.925 -1.036 . . . . 72.35 109.995 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.482 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 3.5 mmtt -84.06 -32.88 24.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 72.13 109.288 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.442 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -76.31 -43.6 40.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 73.1 109.323 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.42 79.71 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 72.01 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.638 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -141.19 12.31 2.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 72.42 109.267 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.858 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 68.65 19.5 73.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 71.23 111.009 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.858 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.6 mt -150.01 111.02 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 73.41 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.558 HD13 ' CB ' ' A' ' 92' ' ' PHE . 63.6 mt -78.31 105.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 70.23 109.326 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.8 t -73.94 176.3 6.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 41.34 109.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.695 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -45.44 -71.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 62.45 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -40.61 -66.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 70.42 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.409 ' CB ' HG23 ' A' ' 100' ' ' ILE . 40.5 mt-10 -38.41 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 70.52 110.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.886 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -94.34 -73.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 63.33 109.311 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.531 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -45.78 -56.32 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 72.42 109.312 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.681 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.9 -38.86 11.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 73.42 109.601 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.977 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.7 t -70.65 -55.22 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 73.25 109.241 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 458' ' ' LEU . 2.7 mt -51.58 -29.94 19.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 74.14 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.3 m -80.69 -25.98 37.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 41.43 110.385 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -67.19 -11.19 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 74.33 110.024 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.031 HG21 HD11 ' A' ' 465' ' ' ILE . 12.6 pt -112.23 -32.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 71.23 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.31 -36.94 0.86 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 25.22 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 109' ' ' LEU . 36.6 mm-40 -56.11 114.45 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 0.744 . . . . 72.52 110.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -105.05 103.37 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 72.32 109.326 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -110.58 121.9 46.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 73.1 109.282 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.428 ' N ' ' HB2' ' A' ' 120' ' ' GLU . 25.8 p -63.72 160.36 17.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 62.11 110.42 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -24.73 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 75.23 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.59 -19.92 24.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 70.51 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.657 ' HB3' HD13 ' A' ' 116' ' ' LEU . 5.2 mm-40 -81.03 -57.73 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 71.52 110.335 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.695 ' CG1' ' HB1' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -61.28 -50.41 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 63.44 109.328 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.762 ' HA ' HD12 ' A' ' 125' ' ' LEU . 4.5 t0 -51.5 -23.75 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 74.12 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.73 -37.04 13.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 74.1 109.283 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.425 ' O ' ' CG ' ' A' ' 127' ' ' GLU . 0.5 OUTLIER -63.96 -34.46 78.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 75.21 110.976 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 122' ' ' ASP . 4.2 mt -62.1 -53.59 53.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 52.43 109.274 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 125' ' ' LEU . 45.2 mtt180 -36.96 -31.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 61.41 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 7.7 mm-40 -46.53 -50.66 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 72.1 110.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.475 ' CG2' ' CD1' ' A' ' 143' ' ' LEU . 20.9 m -131.85 14.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 41.03 109.268 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.2 p -101.07 10.87 40.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 62.21 109.994 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' SER . 66.0 t0 38.29 47.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.03 109.326 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 52.28 47.45 55.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 73.3 111.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' SER . 43.0 t -107.27 -77.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 74.4 109.967 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 152.33 -19.29 0.82 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.149 . . . . 71.33 111.006 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.421 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 22.4 mt-10 -127.46 174.34 9.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 71.34 110.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.886 HD11 ' CD1' ' A' ' 105' ' ' LEU . 6.3 pt -146.97 127.69 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 75.31 109.342 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.494 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -96.95 170.54 9.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 61.24 109.256 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.834 HD11 ' HB3' ' A' ' 85' ' ' LEU . 6.7 tp -39.36 -30.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 71.05 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 136' ' ' ASN . 3.3 mm-40 -75.68 -59.58 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 72.45 110.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.716 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 18.4 mt-30 -66.76 -57.18 7.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.41 110.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.468 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 64.2 t80 -41.54 -50.96 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 74.43 111.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 145' ' ' SER . . . -63.1 -34.42 77.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 53.24 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -44.95 -27.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 63.14 109.359 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.475 ' CD1' ' CG2' ' A' ' 128' ' ' VAL . 1.1 mt -82.92 -42.63 17.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 73.44 109.304 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.481 HD12 HD23 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -87.36 11.98 13.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 63.42 109.284 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 141' ' ' ALA . 45.9 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 54.32 109.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.294 -0.261 . . . . 73.21 110.294 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.542 ' HB2' HH21 ' A' ' 459' ' ' ARG . 0.0 OUTLIER -59.85 -27.97 67.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 74.03 109.332 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . 0.448 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -85.33 -16.15 40.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 45.11 109.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -67.86 -50.66 55.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 73.41 109.28 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' A' ' 456' ' ' LYS . 1.7 ptp180 -60.45 -41.57 94.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 74.51 110.315 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.591 ' HA ' HD12 ' A' ' 463' ' ' LEU . 6.9 t30 -56.91 -38.88 73.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 72.11 109.334 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.896 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -60.33 -25.67 65.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.13 109.308 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.836 HG23 ' CE1' ' A' ' 92' ' ' PHE . 23.7 mt -88.59 -33.49 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 61.12 109.262 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 460' ' ' ASN . 96.3 mt -49.96 -62.08 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 61.21 109.263 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.778 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -48.96 -58.31 5.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 73.3 109.334 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.111 HG23 HD13 ' A' ' 39' ' ' LEU . 19.5 mt -40.42 -32.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 71.54 109.255 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.928 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.67 -72.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 74.21 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.459 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 8.3 mtpp -40.87 -67.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.3 109.29 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.63 HG21 ' HZ ' ' A' ' 19' ' ' PHE . 90.7 t -38.7 -35.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 73.23 109.291 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 466' ' ' ALA . 3.0 t -73.83 -51.51 16.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 71.32 110.029 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -52.86 -41.59 64.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 74.31 110.297 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.715 ' SD ' HD21 ' A' ' 71' ' ' LEU . 10.4 mtm -51.44 -24.29 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 73.35 110.975 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.548 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 28.7 t80 -88.9 -25.06 22.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 75.31 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.93 -6.31 51.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 64.4 110.044 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 471' ' ' MET . 8.9 p -102.99 -48.96 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 70.32 109.282 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.459 ' N ' HG13 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -39.59 -36.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 75.34 109.307 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 75.14 110.271 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.481 HG23 ' OE1' ' A' ' 8' ' ' GLN . 4.6 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.432 -0.21 . . . . 74.31 110.432 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -56.63 -20.8 23.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 65.33 110.329 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -77.04 -26.08 53.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 73.34 110.277 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.481 ' OE1' HG23 ' A' ' 5' ' ' THR . 2.3 mt-30 -84.08 -38.06 21.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 74.05 110.274 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.066 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 2.0 mm -59.64 -31.74 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 73.35 109.282 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.08 -16.53 63.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 74.41 109.278 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 65.2 mt-10 -74.94 -71.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 55.4 110.269 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.503 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 47.9 m-85 -43.95 -26.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 63.14 111.012 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 19.5 mttt -49.07 -46.19 44.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 73.44 109.284 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -60.84 -49.78 76.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 71.33 110.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.743 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -59.63 -18.29 40.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 64.21 109.294 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CZ ' ' C ' ' A' ' 64' ' ' GLU . 1.7 t80 -81.97 -41.6 20.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 74.41 111.014 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -21.23 59.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 70.02 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.742 HD21 ' HG3' ' A' ' 461' ' ' LYS . 64.8 mt -49.95 -41.18 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 72.11 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.643 ' HZ ' HG21 ' A' ' 468' ' ' VAL . 3.3 m-85 -110.36 -49.98 3.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.34 110.932 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -54.54 90.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 61.44 109.298 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.504 ' HE3' HG21 ' A' ' 34' ' ' THR . 58.6 mmtt -69.45 -66.92 0.52 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 123.595 1.664 . . . . 61.4 109.283 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.2 p30 -74.76 -17.01 60.7 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.884 -1.055 . . . . 63.1 110.016 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m120 63.06 65.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.15 109.288 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 35.1 p30 -99.44 -7.92 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 74.5 109.271 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.8 33.03 8.09 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 50.32 110.97 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.72 110.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 63.11 109.998 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' A' ' 19' ' ' PHE . 94.5 mt -91.21 102.37 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 52.31 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.22 159.01 35.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 73.3 110.029 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.5 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 6.4 t -54.81 -18.87 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 73.54 110.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -29.81 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 73.05 110.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 34' ' ' THR . 31.3 mt-10 -90.13 -28.01 19.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 73.14 110.273 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.965 HD22 HG13 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -74.24 -51.91 13.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 72.23 109.306 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.648 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -67.68 -12.36 60.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 74.04 109.294 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.504 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -69.55 -30.46 68.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 63.32 110.419 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.512 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.1 t -83.63 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 72.23 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.542 ' SD ' HD13 ' A' ' 41' ' ' LEU . 49.6 mmm -38.22 -53.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 61.13 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 38' ' ' SER . 8.9 ptm180 -59.18 -43.56 92.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 75.21 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.434 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.8 m -55.7 -35.03 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 72.15 110.003 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.051 HD13 HG23 ' A' ' 465' ' ' ILE . 21.1 mt -72.0 -22.59 61.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 75.52 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.85 2.88 8.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 63.31 110.95 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.542 HD13 ' SD ' ' A' ' 36' ' ' MET . 24.8 mt -79.09 -172.13 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 71.04 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 93.1 p -164.26 61.82 0.94 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 53.41 109.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.1 Cg_endo -75.05 152.92 41.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 43.43 110.957 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -102.96 140.42 37.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 61.0 109.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 22.1 tt0 -48.22 -28.21 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 75.45 110.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.59 -50.21 74.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 35.41 109.308 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.878 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.5 mt-10 -77.36 -51.83 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 72.43 110.286 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.965 HG13 HD22 ' A' ' 32' ' ' LEU . 53.1 t -40.47 -31.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 74.4 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 79.7 m-20 -65.64 -65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 70.43 109.288 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.0 -17.84 11.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 73.24 109.253 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 471' ' ' MET . 0.7 OUTLIER -76.56 -56.19 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.02 109.309 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 61' ' ' HIS . 0.9 OUTLIER -74.78 -16.68 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.11 111.025 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -84.86 -7.96 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 72.33 109.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.486 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.6 mm-40 -84.23 -13.94 51.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 53.3 110.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.835 HG13 HD22 ' A' ' 71' ' ' LEU . 2.1 mm -117.78 -39.68 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 65.45 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 4.8 t0 -37.57 119.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 73.43 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.515 HG23 ' HG2' ' A' ' 67' ' ' GLU . 72.0 t -94.12 -7.74 10.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-O 123.599 1.666 . . . . 61.51 109.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 49.5 p-10 -121.97 -10.79 8.59 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 117.935 -1.031 . . . . 75.11 110.002 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 62.73 36.63 93.57 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 71.12 111.001 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 32.3 p-10 -92.8 27.34 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 44.51 109.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.627 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 54.7 t60 45.58 40.87 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 72.42 109.616 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 40.4 mt-30 -160.54 164.37 32.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 54.43 110.291 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.86 125.03 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 65.45 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.478 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -88.9 172.57 9.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 72.25 110.295 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 1.066 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.0 t80 -72.6 -12.34 61.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 71.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 m -93.68 -46.39 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 74.14 109.986 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 57' ' ' VAL . 14.5 mt-10 -65.81 -51.42 59.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 73.32 110.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.415 ' HE2' ' HB3' ' A' ' 15' ' ' ALA . 90.9 t80 -54.75 -42.72 72.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 72.04 110.964 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.769 HD22 HG23 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -70.09 -32.3 70.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 62.43 109.3 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -72.91 -16.74 61.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 74.02 109.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.952 HD21 ' SD ' ' A' ' 471' ' ' MET . 7.2 tp -73.9 -53.66 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 64.14 109.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -56.12 -47.48 78.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 74.51 110.967 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.3 t -71.3 -15.88 62.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 63.15 110.026 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 4.0 ttt-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 73.53 110.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.061 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.299 -0.63 . . . . 42.13 109.299 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 87' ' ' GLU . 3.7 pp -54.98 -43.36 73.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 72.22 109.299 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.463 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 23.5 mm-40 -59.17 -38.02 78.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 74.33 110.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -90.91 -8.79 48.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 73.05 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 85' ' ' LEU . 18.0 t80 -78.37 -59.82 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 62.13 110.955 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -40.41 97.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.32 109.311 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -54.56 -51.0 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 63.24 109.269 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.941 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.0 m-85 -67.44 -44.98 77.39 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 123.613 1.673 . . . . 75.34 110.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -70.91 98.87 1.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.881 -1.057 . . . . 74.13 109.972 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' NZ ' ' O ' ' A' ' 91' ' ' VAL . 5.9 mmtt -84.97 -32.74 22.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 71.44 109.242 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -76.47 -44.23 36.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 52.34 109.317 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.59 78.5 1.18 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 52.14 111.032 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.576 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.37 11.59 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 73.34 109.367 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.858 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.22 18.41 74.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 53.33 110.973 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.858 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -150.55 110.8 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 74.1 109.265 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.586 HD13 ' CB ' ' A' ' 92' ' ' PHE . 67.4 mt -73.1 99.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 75.41 109.287 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.9 p -63.75 168.66 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.12 110.026 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.598 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -42.73 -69.78 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 64.51 109.345 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.45 -66.59 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 75.1 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 92' ' ' PHE . 40.2 mt-10 -38.91 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 74.4 110.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.827 HD12 ' HE2' ' A' ' 92' ' ' PHE . 40.8 tp -91.2 -73.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 64.3 109.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.897 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -46.01 -65.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 73.42 109.323 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.58 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -39.93 -46.32 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 55.33 109.603 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.941 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -60.4 -44.25 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 73.12 109.261 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 106' ' ' LYS . 1.5 mm? -67.37 -26.2 66.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 62.21 109.28 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.0 m -81.63 -27.54 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 65.41 110.375 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.435 ' OG ' ' HA ' ' A' ' 108' ' ' VAL . 0.1 OUTLIER -70.47 -6.71 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 51.54 110.011 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.861 HG21 HD11 ' A' ' 465' ' ' ILE . 14.4 pt -113.38 -32.2 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 72.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.5 -34.91 0.82 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 72.52 111.039 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.706 ' HG3' ' HZ2' ' A' ' 461' ' ' LYS . 3.9 mt-10 -64.82 104.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 63.35 110.29 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -105.87 104.64 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 73.24 109.285 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 120' ' ' GLU . 4.6 mp -112.39 143.66 43.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.34 109.287 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' GLU . 30.3 p -71.42 150.79 44.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 62.42 110.409 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.06 -26.2 6.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 65.51 109.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.3 -32.95 26.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 73.33 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.54 ' HB3' HD23 ' A' ' 116' ' ' LEU . 24.7 mm-40 -67.97 -43.79 78.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 75.33 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.897 HG21 ' HG2' ' A' ' 106' ' ' LYS . 6.4 p -69.08 -50.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 52.35 109.306 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.519 ' HA ' HD12 ' A' ' 125' ' ' LEU . 19.7 t0 -48.35 -23.55 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 73.15 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 121' ' ' VAL . 2.2 t70 -91.08 -34.0 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 55.11 109.311 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.528 ' HE3' HD22 ' A' ' 116' ' ' LEU . 22.0 ttm -66.49 -37.42 85.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 71.12 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 102' ' ' ALA . 8.6 mt -61.45 -56.16 23.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.21 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 125' ' ' LEU . 22.2 mtt-85 -37.61 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 74.51 110.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 124' ' ' MET . 25.5 mm-40 -47.36 -50.12 22.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 62.01 110.346 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.433 HG11 ' CB ' ' A' ' 142' ' ' ALA . 32.5 m -131.58 13.02 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 64.04 109.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.1 p -99.44 6.67 45.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 65.4 109.979 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 129' ' ' SER . 47.9 t0 39.79 41.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 74.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 59.32 46.93 93.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.114 . . . . 51.33 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' SER . 29.6 t -103.72 -75.53 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 71.22 110.009 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.05 -16.38 1.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 72.13 111.045 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -139.71 156.54 46.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 73.31 110.266 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.579 HG22 ' HB3' ' A' ' 139' ' ' GLN . 2.2 pt -122.29 121.7 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 73.43 109.322 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.637 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -81.07 -172.17 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 64.55 109.296 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.48 HD13 ' CG ' ' A' ' 89' ' ' PHE . 10.8 tp -60.82 -25.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 74.34 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.42 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 4.7 mm-40 -82.87 -57.47 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 73.42 110.269 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.636 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 27.1 mt-30 -58.38 -53.84 53.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 53.35 110.269 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 136' ' ' ASN . 7.8 t80 -46.25 -42.48 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 63.03 111.048 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 1.061 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -66.25 -30.61 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 73.24 109.339 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -49.6 -33.7 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 75.01 109.286 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.52 -49.67 57.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 74.04 109.342 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.772 ' N ' HD23 ' A' ' 144' ' ' LEU . 1.3 mt -61.23 -15.5 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.34 109.272 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 62.02 110.002 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.285 -0.265 . . . . 72.43 110.285 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -22.18 63.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 62.24 109.348 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -89.49 -16.17 31.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 70.53 109.338 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.9 OUTLIER -66.02 -46.33 78.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 71.34 109.325 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -74.99 -31.79 61.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 74.21 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.614 ' HA ' HD12 ' A' ' 463' ' ' LEU . 11.2 t30 -60.37 -41.82 94.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 75.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.742 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -52.72 -29.46 27.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 65.41 109.293 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.628 HG23 ' CE1' ' A' ' 92' ' ' PHE . 9.0 mt -89.46 -30.33 5.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 63.35 109.261 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 460' ' ' ASN . 67.8 mt -50.4 -45.99 55.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 74.02 109.242 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.743 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -69.7 -63.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 54.54 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.051 HG23 HD13 ' A' ' 39' ' ' LEU . 65.4 mt -41.85 -29.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 65.32 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.534 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -79.77 -58.58 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 62.02 109.304 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 469' ' ' SER . 1.8 mttp -63.22 -66.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 72.11 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.643 HG21 ' HZ ' ' A' ' 19' ' ' PHE . 96.7 t -39.2 -30.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 53.21 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 467' ' ' LYS . 5.5 t -76.51 -64.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 70.34 110.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.3 OUTLIER -46.08 -50.9 14.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 75.44 110.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.952 ' SD ' HD21 ' A' ' 71' ' ' LEU . 6.6 mtp -38.68 -34.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 74.34 110.966 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.545 ' CD1' HD23 ' A' ' 475' ' ' LEU . 46.7 t80 -78.91 -40.28 32.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 72.31 110.981 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 470' ' ' ARG . 48.4 t -68.6 -8.48 42.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 62.32 109.961 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.46 HG12 ' C ' ' A' ' 471' ' ' MET . 7.1 p -109.79 -42.25 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 61.15 109.316 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.878 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.54 -29.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 63.43 109.336 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . 0.426 ' N ' ' C ' ' A' ' 474' ' ' VAL . 3.4 tmt_? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 64.11 110.301 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.3 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.386 -0.227 . . . . 64.34 110.386 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.03 -33.14 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 62.33 110.27 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -70.88 -36.01 72.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 72.53 110.299 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' THR . 11.3 mm100 -72.22 -28.95 63.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 71.44 110.329 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.714 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 3.2 mm -67.06 -20.48 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 72.45 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.06 -12.56 57.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 53.21 109.277 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 45.3 mt-10 -76.05 -68.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 73.23 110.278 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.499 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 31.0 m-85 -44.02 -25.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 71.43 110.94 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -55.45 -46.47 76.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 74.41 109.353 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.455 ' HB3' ' CD ' ' A' ' 461' ' ' LYS . 6.7 mm-40 -63.52 -46.25 86.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 52.05 110.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.72 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -65.88 -15.33 62.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 75.23 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.0 t80 -80.6 -40.54 25.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 61.21 111.029 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -21.71 62.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 53.1 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.019 HD21 ' HG3' ' A' ' 461' ' ' LYS . 58.4 mt -48.25 -41.46 27.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 42.4 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.873 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 6.5 m-85 -110.38 -40.77 4.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 74.52 111.023 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -63.47 83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 73.41 109.314 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HE3' HG21 ' A' ' 34' ' ' THR . 56.1 mmtt -59.45 -67.15 0.41 Allowed 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 123.583 1.658 . . . . 73.02 109.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -77.69 -22.66 50.18 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.917 -1.04 . . . . 72.32 109.978 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 72.02 64.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 72.4 109.3 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -100.68 5.02 43.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 71.3 109.312 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.92 34.26 38.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 51.24 111.044 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.59 112.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 73.13 109.976 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 19' ' ' PHE . 64.9 mt -93.71 99.78 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 63.45 109.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -66.49 -179.31 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 75.41 109.997 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.415 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 5.2 t -69.07 -39.92 78.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 72.24 109.985 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -20.55 66.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 61.34 110.015 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.651 ' O ' HG22 ' A' ' 34' ' ' THR . 41.5 mt-10 -90.59 -45.71 8.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 74.12 110.296 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.029 HD22 HG13 ' A' ' 48' ' ' VAL . 2.3 tt -61.87 -48.21 81.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 63.35 109.242 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -68.8 -11.94 60.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 41.33 109.347 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -70.26 -29.25 65.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 75.24 110.395 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.2 t -91.61 -60.62 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 71.32 109.295 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.593 ' HE1' ' HB2' ' A' ' 472' ' ' PHE . 82.2 mtp -41.35 -47.01 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 44.41 110.975 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' SER . 8.8 ptm180 -63.05 -40.42 97.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 70.15 110.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.425 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 22.1 m -61.21 -33.42 73.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 72.11 110.012 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.607 ' CD1' HG23 ' A' ' 465' ' ' ILE . 25.3 mt -70.7 -22.57 62.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 72.54 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.5 4.59 8.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 71.11 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.556 HD13 ' HE2' ' A' ' 36' ' ' MET . 17.3 mt -83.26 -177.53 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 72.1 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.474 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 6.3 t -163.53 60.57 0.92 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 74.3 109.974 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.541 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.2 Cg_endo -75.01 117.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 61.21 111.031 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 m -58.59 140.02 54.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 45.23 109.981 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 27.3 tt0 -46.52 -27.88 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 75.5 110.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.73 76.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 61.41 109.28 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HB3' HD21 ' A' ' 475' ' ' LEU . 3.0 mt-10 -75.25 -49.72 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 62.21 110.309 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.029 HG13 HD22 ' A' ' 32' ' ' LEU . 55.2 t -40.41 -30.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 72.3 109.264 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.463 ' OD1' ' CE1' ' A' ' 61' ' ' HIS . 73.5 m-20 -72.9 -66.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 53.12 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.639 ' HB3' HD13 ' A' ' 475' ' ' LEU . 0.2 OUTLIER -53.11 -18.6 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 61.02 109.302 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.758 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.6 tm? -79.22 -53.62 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 73.12 109.321 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.448 ' HB3' HD13 ' A' ' 32' ' ' LEU . 15.1 ptm -80.28 -6.26 57.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 61.11 110.986 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' ASN . 3.9 m-80 -92.38 -7.99 46.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 75.42 109.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.722 ' C ' HD13 ' A' ' 55' ' ' ILE . 6.4 mm-40 -89.04 -8.25 54.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 54.24 110.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.722 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.8 mm -117.51 -45.75 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 51.23 109.367 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 3.3 t0 -38.96 120.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 72.55 109.318 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.76 -15.62 12.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-O 123.6 1.667 . . . . 62.13 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 48.2 p-10 -118.76 -7.7 10.46 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.88 -1.057 . . . . 62.0 109.975 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.8 41.43 94.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 73.35 111.022 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.451 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.4 p-10 -89.9 17.65 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 72.52 109.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.644 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 50.5 t60 59.87 30.91 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 72.53 109.583 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 47.6 mt-30 -156.09 149.56 24.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.43 110.268 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -104.28 127.26 58.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 64.32 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -90.66 171.1 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 73.13 110.302 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.714 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 2.4 t80 -70.63 -12.69 61.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 65.15 110.987 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.5 t -92.36 -47.53 7.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 71.44 110.017 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.35 -51.36 61.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 63.52 110.28 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.84 -44.46 73.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 63.34 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.735 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.96 -33.29 73.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 74.31 109.316 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -71.28 -24.38 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 53.04 109.294 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.7 HD21 ' SD ' ' A' ' 471' ' ' MET . 27.5 tp -64.74 -50.56 66.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 63.44 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -58.26 -14.1 6.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 73.21 111.025 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.3 t -130.76 30.01 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 73.13 110.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 70.33 110.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.872 HD22 HD12 ' A' ' 144' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.29 -0.633 . . . . 74.41 109.29 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 86' ' ' LEU . 1.9 pp -74.13 -29.34 61.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 73.23 109.311 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.632 ' HB2' ' HB1' ' A' ' 466' ' ' ALA . 90.4 mt-10 -69.61 -34.41 74.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 74.13 110.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -91.09 -10.42 42.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 64.44 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.463 ' HA ' HD11 ' A' ' 100' ' ' ILE . 33.2 t80 -75.21 -60.49 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 75.52 111.017 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 5.5 ptpt -63.39 -43.04 98.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 73.02 109.309 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.521 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -51.46 -50.85 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 64.43 109.334 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.927 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.3 m-85 -68.32 -44.42 75.42 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 123.65 1.69 . . . . 64.11 110.997 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -72.01 98.7 2.12 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.862 -1.066 . . . . 74.41 110.011 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -29.87 20.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.4 109.326 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -77.13 -49.86 14.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 54.3 109.256 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 91.15 68.49 1.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.108 . . . . 62.21 111.004 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.559 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -126.35 1.43 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 74.11 109.244 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.808 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 81.46 13.55 80.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.094 . . . . 72.1 111.034 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.808 HD23 ' O ' ' A' ' 98' ' ' GLY . 1.5 mt -148.57 114.44 5.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 62.32 109.283 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.615 HD13 ' CB ' ' A' ' 92' ' ' PHE . 65.8 mt -74.61 102.72 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 72.33 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.1 p -66.92 175.86 2.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 73.12 109.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 125' ' ' LEU . . . -48.56 -69.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 72.32 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.481 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -41.49 -66.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 44.11 109.315 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ALA . 40.2 mt-10 -37.96 -30.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 75.11 110.257 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.858 HD23 HG23 ' A' ' 121' ' ' VAL . 1.5 tp -88.75 -72.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 74.25 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.85 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -47.25 -63.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 70.04 109.321 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.586 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -39.5 -42.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 71.43 109.612 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.927 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.2 t -67.11 -47.28 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 73.24 109.315 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 106' ' ' LYS . 3.0 mm? -57.13 -35.6 69.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 73.31 109.258 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.8 m -82.09 -13.78 56.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 63.41 110.355 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -3.72 57.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 73.12 109.976 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.874 HG21 HD11 ' A' ' 465' ' ' ILE . 10.8 pt -113.74 -33.3 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 74.35 109.278 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.74 -36.88 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 64.11 110.978 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 24.3 mm-40 -50.54 173.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 64.22 110.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 114' ' ' GLU . 21.3 mtpp -154.99 114.38 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 72.13 109.28 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 5.8 mt -131.77 130.44 41.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 64.22 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -67.85 159.4 30.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 71.32 110.388 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.449 ' HA ' HG12 ' A' ' 121' ' ' VAL . 0.6 OUTLIER -57.51 -29.7 64.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 72.31 109.273 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.07 -20.08 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 72.01 109.278 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 116' ' ' LEU . 6.0 mt-10 -86.16 -29.56 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 75.53 110.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.946 ' O ' HD22 ' A' ' 125' ' ' LEU . 9.6 p -83.93 -54.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 71.14 109.325 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.565 ' N ' HG13 ' A' ' 121' ' ' VAL . 14.4 t70 -47.46 -24.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.31 109.301 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 121' ' ' VAL . 6.2 t0 -91.23 -35.11 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 65.31 109.323 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 121' ' ' VAL . 21.7 ttm -55.68 -34.71 65.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 72.43 110.959 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.946 HD22 ' O ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -69.76 -55.08 10.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 51.45 109.266 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 125' ' ' LEU . 31.3 mtt180 -35.55 -33.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 73.14 110.286 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.0 mm-40 -43.61 -50.21 7.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 70.04 110.335 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 23.1 m -132.05 10.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 73.34 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.5 p -97.56 17.06 18.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 75.22 109.975 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.5 t0 40.77 45.11 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 71.41 109.266 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 57.48 43.14 94.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 72.5 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 129' ' ' SER . 30.9 t -103.61 -84.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 75.4 109.998 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.68 -24.28 0.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 73.11 110.987 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -120.4 156.75 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 74.32 110.358 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.614 HD11 HD13 ' A' ' 105' ' ' LEU . 4.7 pt -130.05 121.2 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 74.11 109.279 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.737 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -85.98 177.25 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 75.42 109.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.765 HG23 HE21 ' A' ' 138' ' ' GLN . 8.9 tp -51.07 -22.38 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 71.41 109.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.765 HE21 HG23 ' A' ' 137' ' ' ILE . 7.1 mm-40 -85.62 -57.11 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 71.54 110.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.652 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 22.4 mt-30 -62.53 -57.3 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 72.22 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.61 ' CZ ' HD11 ' A' ' 144' ' ' LEU . 21.7 t80 -42.95 -50.61 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 74.1 110.996 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.833 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -53.31 -35.94 60.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 63.22 109.291 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -50.01 -34.08 20.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 60.52 109.263 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.436 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.4 mt -72.93 -43.98 61.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 61.33 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.872 HD12 HD22 ' A' ' 85' ' ' LEU . 11.0 mt -86.83 11.77 12.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 72.54 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 141' ' ' ALA . 22.9 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 45.2 109.979 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.32 -0.252 . . . . 74.12 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -23.24 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 72.32 109.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -88.55 -16.07 33.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 74.32 109.27 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.5 OUTLIER -68.85 -51.0 45.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 55.44 109.315 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.447 ' HB2' ' CD2' ' A' ' 144' ' ' LEU . 4.1 ptp180 -60.72 -38.18 84.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 74.34 110.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.873 ' HA ' HD22 ' A' ' 463' ' ' LEU . 11.1 t30 -59.5 -45.38 91.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 73.34 109.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 1.019 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -44.38 -27.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 73.4 109.324 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.658 HG23 ' HE1' ' A' ' 92' ' ' PHE . 56.4 mt -89.33 -40.07 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 65.21 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.873 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.2 OUTLIER -41.08 -34.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 73.12 109.288 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.72 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -83.52 -47.61 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 70.02 109.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 0.874 HD11 HG21 ' A' ' 112' ' ' ILE . 58.3 mt -50.62 -22.57 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 75.42 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.27 -72.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 60.21 109.308 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 469' ' ' SER . 21.2 mttp -45.44 -65.04 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 74.51 109.25 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.873 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 95.7 t -38.72 -30.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 75.43 109.279 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.3 t -80.03 -68.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 60.21 109.979 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.531 ' CD ' ' CG2' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -43.12 -48.05 6.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 73.22 110.264 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.7 ' SD ' HD21 ' A' ' 71' ' ' LEU . 1.2 mtm -37.26 -40.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 65.42 111.001 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.673 ' HA ' HD23 ' A' ' 51' ' ' LEU . 7.3 t80 -56.55 -46.92 80.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 65.31 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 470' ' ' ARG . 1.0 OUTLIER -69.03 -31.81 70.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 61.22 110.002 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.531 ' CG2' ' CD ' ' A' ' 470' ' ' ARG . 40.5 t -66.74 -46.06 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 74.1 109.33 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -49.27 -36.95 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 73.04 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 60.45 110.285 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.2 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.379 -0.23 . . . . 64.41 110.379 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -45.98 -25.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 74.44 110.329 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 456' ' ' LYS . 6.4 tt0 -72.21 -39.95 68.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 64.15 110.276 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' THR . 6.1 mm-40 -69.4 -36.83 77.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 54.23 110.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.558 ' N ' HD13 ' A' ' 9' ' ' ILE . 3.6 mm -59.47 -47.76 89.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 52.35 109.24 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.74 -18.42 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 73.4 109.265 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 9.9 mm-40 -83.14 -72.32 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 62.32 110.346 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 15' ' ' ALA . 39.9 m-85 -51.05 -48.78 61.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 70.14 111.033 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -41.71 -39.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 52.4 109.325 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.865 ' OE2' ' HB1' ' A' ' 457' ' ' ALA . 69.1 mt-10 -69.45 -43.55 73.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 72.33 110.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -62.19 -20.13 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 73.53 109.293 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.597 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.9 t80 -76.18 -35.15 59.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 72.33 111.01 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.28 -23.65 66.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 31.42 109.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.927 HD21 ' HG3' ' A' ' 461' ' ' LYS . 59.8 mt -45.43 -39.57 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 61.44 109.293 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.707 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 16.8 m-85 -107.37 -56.26 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 75.24 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.597 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -46.78 95.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 72.55 109.328 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' PHE . 42.4 mmtt -68.36 -67.58 0.46 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 123.682 1.706 . . . . 74.01 109.281 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 22' ' ' ASP . 2.7 p30 -78.64 -2.52 39.45 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 117.874 -1.06 . . . . 71.32 109.978 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 48.47 62.59 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 55.25 109.325 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.8 p30 -93.0 -26.71 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 61.52 109.325 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 112.63 32.9 2.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 61.22 110.959 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.28 115.02 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 75.52 110.027 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.548 HD13 ' HB2' ' A' ' 19' ' ' PHE . 89.2 mt -93.98 100.24 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 70.41 109.323 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 p -64.89 168.61 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 62.13 110.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -67.93 -17.52 64.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 73.34 109.979 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -26.94 28.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 73.32 109.993 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' ' HB ' ' A' ' 34' ' ' THR . 45.4 mt-10 -90.66 -32.94 16.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.12 110.264 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.051 HD22 HG13 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -69.93 -51.32 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 54.14 109.325 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -68.11 -12.75 61.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 72.32 109.321 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -72.74 -26.19 61.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 73.31 110.397 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.668 HG11 ' CE2' ' A' ' 19' ' ' PHE . 1.6 t -86.45 -56.69 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 72.14 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.623 ' CE ' HD13 ' A' ' 41' ' ' LEU . 50.9 mmm -42.41 -50.58 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 53.43 110.982 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' SER . 7.6 ptm180 -62.86 -40.67 98.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 73.24 110.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 68.5 m -56.41 -19.19 13.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 62.42 110.011 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.052 HD13 HG23 ' A' ' 465' ' ' ILE . 19.4 mt -92.59 -21.8 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 73.12 109.354 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.74 3.2 8.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 74.14 111.049 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.623 HD13 ' CE ' ' A' ' 36' ' ' MET . 35.3 mt -80.29 -178.78 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 73.12 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.476 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.1 t -161.3 60.56 1.24 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.41 109.964 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 73.22 110.98 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.99 140.37 49.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 53.02 110.012 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -48.69 -28.25 3.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 73.23 110.351 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.9 -49.64 75.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 75.1 109.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HB3' HD21 ' A' ' 475' ' ' LEU . 4.1 mt-10 -74.86 -50.34 17.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 75.4 110.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.051 HG13 HD22 ' A' ' 32' ' ' LEU . 53.6 t -40.9 -37.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 33.34 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 92.6 m-20 -65.61 -62.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 71.23 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.46 -14.13 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 75.14 109.302 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.749 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.5 tm? -78.91 -54.51 5.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 73.11 109.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.496 ' CB ' HD11 ' A' ' 63' ' ' ILE . 7.3 ptm -79.55 -14.03 59.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 74.13 110.997 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 8.3 m-80 -84.53 -8.03 59.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 72.33 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -88.75 -12.49 42.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 41.22 110.301 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.607 HG21 HD22 ' A' ' 71' ' ' LEU . 2.7 mm -116.53 -37.79 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.31 109.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.1 t0 -38.24 120.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.13 109.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 19.9 t -83.16 -21.04 9.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-O 123.593 1.664 . . . . 60.42 109.322 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.501 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 49.8 p30 -113.25 -5.78 13.61 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.912 -1.042 . . . . 54.44 110.011 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 55.62 42.97 85.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 72.12 111.005 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 33.6 p-10 -92.52 13.88 18.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 72.23 109.284 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.673 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 22.2 t60 66.4 26.07 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 75.31 109.594 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 38.7 mt-30 -150.77 164.23 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 73.11 110.348 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.496 HD11 ' CB ' ' A' ' 52' ' ' MET . 0.2 OUTLIER -113.29 129.78 68.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 73.01 109.28 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.49 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -96.12 175.5 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 74.13 110.319 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.7 t80 -75.82 -12.32 60.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 70.31 110.991 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -92.35 -30.87 15.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 53.35 109.976 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 18.1 mt-10 -84.17 -52.22 6.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 71.12 110.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -54.17 -48.22 71.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 71.24 110.975 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -67.09 -32.44 73.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 60.35 109.336 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.17 -15.74 58.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 65.32 109.319 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.925 HD21 ' SD ' ' A' ' 471' ' ' MET . 9.6 tp -75.57 -44.26 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 72.35 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -61.6 -36.26 80.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 75.51 111.011 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 p -88.43 15.63 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 60.33 110.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 72.43 110.326 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.89 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.233 -0.654 . . . . 71.14 109.233 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -51.57 -38.24 53.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.41 109.236 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 29.9 mm-40 -69.93 -59.94 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 74.31 110.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.739 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -61.47 -13.86 24.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 70.24 109.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 85' ' ' LEU . 55.1 t80 -85.11 -42.07 15.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.32 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -84.53 -9.14 58.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 62.42 109.298 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -89.59 -45.08 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.23 109.292 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.886 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.1 m-85 -68.35 -41.78 80.22 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 123.614 1.674 . . . . 74.02 110.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -72.71 100.84 2.92 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.876 -1.059 . . . . 73.0 109.988 179.71 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.47 -35.03 23.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 75.13 109.276 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.455 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -73.36 -44.54 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 65.23 109.281 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.92 78.71 1.09 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 62.44 110.974 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.553 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -136.72 8.69 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 75.24 109.302 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.883 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 75.05 15.76 80.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 75.13 111.034 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 98' ' ' GLY . 1.1 mt -149.95 110.63 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 72.54 109.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.622 HD13 ' CB ' ' A' ' 92' ' ' PHE . 64.0 mt -73.82 96.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 63.53 109.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.8 t -59.9 174.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 62.34 109.98 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -50.53 -66.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 40.33 109.255 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.454 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -42.25 -65.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 54.52 109.314 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 24.3 mt-10 -39.18 -28.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 75.01 110.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.458 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -90.59 -72.86 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 72.11 109.324 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.741 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.25 -59.36 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 70.41 109.296 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.712 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.82 -38.38 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 73.2 109.602 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.886 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -72.84 -37.85 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 75.33 109.352 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.545 HD12 ' CB ' ' A' ' 114' ' ' GLU . 1.6 mm? -64.31 -36.01 82.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 73.41 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.441 HG23 ' HZ2' ' A' ' 115' ' ' LYS . 2.2 m -74.58 -32.34 62.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 51.23 110.388 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.446 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -60.21 -14.92 20.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.04 109.992 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.964 HG21 HD11 ' A' ' 465' ' ' ILE . 10.4 pt -109.55 -32.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 73.31 109.277 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.03 -40.12 0.76 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 65.15 111.06 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.545 ' CB ' HD12 ' A' ' 109' ' ' LEU . 22.9 mm-40 -49.18 111.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 70.21 110.309 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HZ2' HG23 ' A' ' 110' ' ' THR . 13.2 mttm -110.59 97.16 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 75.33 109.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 120' ' ' GLU . 5.3 mp -113.86 146.96 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 53.42 109.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.9 p -76.61 155.51 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 61.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.47 -24.65 32.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.52 109.317 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.82 -28.11 28.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.1 109.303 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.516 ' HB3' HD23 ' A' ' 116' ' ' LEU . 33.3 mm-40 -75.29 -49.33 19.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 74.23 110.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.741 HG21 ' HG2' ' A' ' 106' ' ' LYS . 9.8 p -63.05 -52.89 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 63.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.535 ' N ' HG13 ' A' ' 121' ' ' VAL . 4.2 t70 -47.53 -24.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 74.14 109.284 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 121' ' ' VAL . 3.1 t0 -91.15 -35.59 14.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 74.25 109.308 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.462 ' HE3' HD22 ' A' ' 116' ' ' LEU . 33.1 ttm -60.41 -35.14 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 74.41 111.022 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 122' ' ' ASP . 6.2 mt -63.56 -51.44 65.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 71.34 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 29.8 mtt180 -37.5 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 70.13 110.335 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 89.4 mt-10 -44.75 -49.31 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 72.14 110.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 20.8 m -130.65 8.9 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 31.21 109.308 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 132' ' ' SER . 1.3 p -97.21 1.69 50.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 70.24 109.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.4 t70 42.14 28.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.44 109.299 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 129' ' ' SER . . . 72.51 45.33 37.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.117 . . . . 63.02 111.035 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.9 OUTLIER -96.83 -70.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 75.32 109.951 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.58 -13.12 1.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 53.32 110.984 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.432 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 26.1 mt-10 -149.51 161.55 41.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 74.42 110.277 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.578 HG22 HE21 ' A' ' 139' ' ' GLN . 5.4 pt -127.84 129.92 69.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 60.35 109.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.574 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -95.69 -174.99 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 54.31 109.298 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.576 HG23 ' NE2' ' A' ' 138' ' ' GLN . 11.0 tp -56.36 -17.39 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 75.11 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.576 ' NE2' HG23 ' A' ' 137' ' ' ILE . 4.1 mm-40 -88.87 -52.17 5.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 60.31 110.291 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.689 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 29.7 mt-30 -68.74 -56.77 6.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 73.53 110.305 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.494 ' CD2' HD13 ' A' ' 85' ' ' LEU . 19.4 t80 -44.15 -47.29 9.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 73.12 111.001 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.89 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -64.02 -30.68 71.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 43.31 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -52.69 -23.11 6.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 62.43 109.275 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.45 -49.55 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.44 109.308 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.542 HD12 HD22 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -86.7 11.09 13.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 63.25 109.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 141' ' ' ALA . 34.2 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 74.12 110.033 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.31 -0.256 . . . . 70.13 110.31 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.656 ' HB2' HH21 ' A' ' 459' ' ' ARG . 0.1 OUTLIER -75.85 -18.24 59.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 73.44 109.269 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . 0.865 ' HB1' ' OE2' ' A' ' 14' ' ' GLU . . . -86.19 -16.15 38.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.44 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.4 OUTLIER -67.96 -51.43 47.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 55.23 109.282 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.656 HH21 ' HB2' ' A' ' 456' ' ' LYS . 1.5 ptp180 -60.25 -37.61 80.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 74.43 110.269 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.547 ' HA ' HD22 ' A' ' 463' ' ' LEU . 16.2 t30 -59.55 -34.9 73.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 53.24 109.273 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.927 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -53.73 -28.69 35.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 72.05 109.292 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.634 HG23 ' HE1' ' A' ' 92' ' ' PHE . 25.6 mt -90.07 -30.13 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 54.35 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.627 HD13 ' O ' ' A' ' 459' ' ' ARG . 6.5 mp -50.99 -37.81 47.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 72.51 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.575 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -77.53 -54.39 6.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 65.32 109.298 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.052 HG23 HD13 ' A' ' 39' ' ' LEU . 10.0 mt -51.7 -25.33 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 54.01 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.739 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.22 -60.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.55 109.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 470' ' ' ARG . 7.0 mttm -58.13 -65.53 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 74.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 67.4 t -38.71 -30.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.23 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.9 OUTLIER -79.3 -51.52 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 72.33 110.031 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.3 tmt_? -53.78 -41.25 67.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 70.44 110.341 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.925 ' SD ' HD21 ' A' ' 71' ' ' LEU . 6.3 mtp -50.76 -20.99 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 75.21 110.967 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 26.2 t80 -89.54 -26.91 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 73.2 111.012 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.4 t -90.56 -3.23 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.34 109.984 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 471' ' ' MET . 9.9 p -106.43 -48.69 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 70.42 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.454 ' N ' HG13 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -43.07 -34.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 73.12 109.279 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 63.55 110.278 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.3 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.36 -0.237 . . . . 71.32 110.36 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -40.97 -39.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 61.34 110.323 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -67.36 -44.37 79.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 64.44 110.281 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.444 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.8 mm100 -57.7 -31.42 66.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.52 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.766 ' N ' HD13 ' A' ' 9' ' ' ILE . 1.3 mm -69.68 -22.19 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 51.21 109.325 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.58 -12.71 57.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 64.4 109.311 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 66.2 mt-10 -76.3 -62.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 71.31 110.273 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 32.5 m-85 -53.54 -21.76 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 74.03 111.022 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.576 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 10.3 mmtt -51.72 -47.39 64.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 73.34 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.74 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 6.2 mm-40 -69.9 -45.82 66.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.02 110.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.567 ' O ' ' CZ ' ' A' ' 68' ' ' PHE . . . -60.91 -15.49 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 71.4 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 4.3 t80 -85.42 -41.58 15.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 74.21 110.963 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -24.31 64.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 14.42 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.834 HD21 ' HG2' ' A' ' 461' ' ' LYS . 73.2 mt -44.33 -40.59 5.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 72.34 109.286 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.839 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 7.6 m-85 -112.39 -36.91 5.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 74.44 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -67.51 86.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.11 109.312 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.63 ' HE3' HG21 ' A' ' 34' ' ' THR . 32.2 mmtt -62.52 -66.61 0.51 Allowed 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.6 1.667 . . . . 71.33 109.259 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.84 -11.38 59.97 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.878 -1.058 . . . . 75.32 110.004 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 55.94 57.78 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 72.45 109.298 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 11.3 p30 -91.69 -21.33 20.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 72.5 109.325 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 106.05 34.56 3.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.114 . . . . 62.11 111.005 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.97 112.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 71.23 110.007 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' A' ' 19' ' ' PHE . 61.9 mt -95.25 99.2 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 52.24 109.281 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -67.49 161.95 24.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 60.53 110.044 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 2.2 t -57.04 -17.27 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 54.24 109.999 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.56 -25.39 26.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 54.32 109.993 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.719 ' O ' HG22 ' A' ' 34' ' ' THR . 42.9 mt-10 -90.67 -33.34 15.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 65.22 110.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.031 HD22 HG13 ' A' ' 48' ' ' VAL . 1.3 tt -68.2 -52.59 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 72.33 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.616 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -66.67 -12.13 56.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.43 109.342 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -68.82 -26.06 64.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 44.12 110.353 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.0 t -89.8 -61.45 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 54.1 109.293 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.763 ' HE2' HD13 ' A' ' 41' ' ' LEU . 82.3 mtp -41.12 -53.6 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 55.15 111.022 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.484 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.4 ptp180 -60.27 -42.69 95.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 73.12 110.322 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 37.1 m -56.09 -36.28 67.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 65.15 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.977 HD13 HG23 ' A' ' 465' ' ' ILE . 20.1 mt -69.77 -22.54 63.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 61.24 109.302 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.1 2.45 8.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 73.54 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.763 HD13 ' HE2' ' A' ' 36' ' ' MET . 5.9 mt -77.42 -172.82 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 54.51 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -163.39 61.65 1.05 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 75.1 109.957 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 139.87 24.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 73.32 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 p -84.14 140.47 31.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 55.43 110.043 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 24.7 tt0 -51.87 -27.56 13.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 70.24 110.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.97 74.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 75.41 109.304 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.638 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.4 mt-10 -75.31 -51.58 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 70.22 110.297 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.031 HG13 HD22 ' A' ' 32' ' ' LEU . 55.5 t -40.47 -34.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 73.05 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 87.8 m-20 -65.0 -64.93 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 53.22 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -58.22 -16.57 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 73.14 109.271 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.979 HD11 ' HE3' ' A' ' 471' ' ' MET . 1.3 tm? -77.41 -55.37 5.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 71.42 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 27' ' ' ILE . 1.3 ptp -77.66 -14.0 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 63.15 111.008 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -86.45 -8.02 57.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 55.31 109.288 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.963 ' C ' HD13 ' A' ' 55' ' ' ILE . 6.3 mm-40 -91.02 -7.55 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 73.5 110.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.963 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.1 mm -117.73 -46.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 55.31 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 3.5 t0 -38.68 120.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 74.04 109.318 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.565 HG23 ' HG2' ' A' ' 67' ' ' GLU . 54.7 t -81.98 -18.48 11.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.631 1.682 . . . . 54.33 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.8 p-10 -114.4 -7.25 12.89 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.919 -1.039 . . . . 63.14 109.994 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.26 41.04 92.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 64.24 110.975 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.2 p-10 -90.15 17.32 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 71.02 109.258 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.656 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 55.2 t60 59.25 34.4 23.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 63.21 109.596 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 44.8 mt-30 -158.81 148.94 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 72.24 110.334 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.67 127.42 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 74.24 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.562 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -91.57 179.44 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 72.05 110.297 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.74 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 1.9 t80 -76.16 -12.88 60.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 71.42 111.025 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.3 t -94.73 -40.65 9.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 55.04 110.011 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.565 ' HG2' HG23 ' A' ' 57' ' ' VAL . 45.2 mt-10 -69.83 -50.02 46.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 43.32 110.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 79.3 t80 -57.71 -40.81 80.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.15 110.981 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.728 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -69.99 -33.59 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 73.1 109.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -74.29 -16.14 60.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' ' 55' ' ' ILE . 58.9 tp -75.14 -48.83 21.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.34 109.273 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.744 ' HG3' ' HZ3' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -57.11 -36.68 70.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 73.04 110.99 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -93.25 11.82 26.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 71.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 72.33 110.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.853 ' HB3' HD11 ' A' ' 137' ' ' ILE . 8.2 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.289 -0.634 . . . . 70.54 109.289 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.79 -45.14 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 44.53 109.324 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.3 mm-40 -54.33 -45.17 72.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 72.05 110.311 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.881 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -76.89 -28.8 55.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 72.55 109.317 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.449 ' HA ' HD11 ' A' ' 100' ' ' ILE . 9.0 t80 -63.48 -64.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 74.34 111.037 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -29.95 69.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 65.31 109.273 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.2 t -63.57 -54.59 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 72.03 109.325 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.979 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.8 m-85 -66.08 -40.09 90.57 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.627 1.679 . . . . 70.35 111.031 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -74.27 97.43 2.99 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.868 -1.063 . . . . 71.54 109.98 179.688 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -31.22 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 75.14 109.289 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.468 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.96 -45.47 27.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 75.14 109.3 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.59 77.72 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 50.22 111.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.663 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.88 10.38 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 65.02 109.302 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.878 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.87 18.9 74.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 50.42 111.014 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.3 mt -149.86 114.69 5.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 75.35 109.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.516 HD13 ' CB ' ' A' ' 92' ' ' PHE . 51.5 mt -80.63 104.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 62.22 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 t -71.4 -174.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 75.01 110.009 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 106' ' ' LYS . . . -53.66 -71.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 41.34 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.83 -66.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 73.14 109.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB3' HG23 ' A' ' 100' ' ' ILE . 74.6 mt-10 -38.38 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.11 110.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.769 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -94.38 -73.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 72.41 109.302 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.764 ' HB3' HG21 ' A' ' 121' ' ' VAL . 1.1 ptmm? -45.6 -56.18 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.21 109.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.649 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.87 -42.88 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 73.41 109.575 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.979 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -66.07 -49.39 76.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 71.44 109.326 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.488 ' O ' ' CG1' ' A' ' 112' ' ' ILE . 1.2 mt -59.63 -26.87 65.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 64.23 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 1.8 m -85.08 -10.27 57.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.44 110.403 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.502 ' OG ' HD23 ' A' ' 39' ' ' LEU . 25.4 t -85.4 -0.29 54.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 74.05 109.965 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.041 HG21 HD11 ' A' ' 465' ' ' ILE . 6.3 pt -109.67 -32.91 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 72.45 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 145.08 -35.9 1.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 63.04 110.99 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.5 ' OE2' HD13 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -61.15 173.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 64.04 110.358 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 1.0 OUTLIER -156.56 129.52 7.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 62.14 109.27 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.539 ' CD2' ' CE ' ' A' ' 124' ' ' MET . 1.6 mp -124.1 143.99 50.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 74.2 109.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.2 p -73.41 154.14 40.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 74.22 110.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -27.77 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 75.3 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.27 -23.89 30.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 43.14 109.324 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -76.07 -57.11 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 73.5 110.319 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.957 ' O ' HD22 ' A' ' 125' ' ' LEU . 0.7 OUTLIER -59.34 -50.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 71.13 109.316 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.526 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 15.5 t70 -49.64 -26.1 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 70.02 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -32.44 16.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 64.12 109.312 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.539 ' CE ' ' CD2' ' A' ' 116' ' ' LEU . 56.4 ttm -58.19 -37.9 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 74.12 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.957 HD22 ' O ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -66.16 -57.02 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 44.3 109.284 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 125' ' ' LEU . 45.5 mtt180 -35.21 -33.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 64.35 110.265 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 125' ' ' LEU . 77.9 mt-10 -42.76 -51.18 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 74.04 110.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.506 HG11 ' CB ' ' A' ' 142' ' ' ALA . 33.1 m -132.84 11.83 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 73.42 109.309 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.3 p -96.76 13.86 27.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 71.33 109.995 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.6 t70 40.01 46.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 73.43 109.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.86 44.37 87.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 42.32 110.983 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 129' ' ' SER . 28.9 t -104.7 -82.57 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 74.32 110.024 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 158.97 -24.41 0.33 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 73.34 110.939 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -120.19 174.59 6.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 0.76 . . . . 74.23 110.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.769 HD11 ' CD1' ' A' ' 105' ' ' LEU . 9.0 pt -147.13 126.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 65.42 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.505 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -90.49 173.58 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 75.23 109.257 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.853 HD11 ' HB3' ' A' ' 85' ' ' LEU . 5.8 tp -45.27 -26.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 61.45 109.315 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.426 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 3.6 mm-40 -80.88 -58.42 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 74.44 110.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.702 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 21.2 mt-30 -63.16 -56.46 16.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 72.33 110.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.556 ' HA ' HD12 ' A' ' 135' ' ' ILE . 44.8 t80 -42.3 -50.45 5.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 73.13 110.964 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -61.27 -34.41 75.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 64.33 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.55 -37.36 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 64.31 109.331 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -43.97 90.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 62.52 109.293 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.632 ' N ' HD23 ' A' ' 144' ' ' LEU . 2.6 mt -69.24 -11.13 60.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 72.43 109.326 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 65.34 110.026 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.298 -0.26 . . . . 71.41 110.298 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 459' ' ' ARG . 5.0 ptmt -59.3 -21.75 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 44.13 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . 0.74 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -92.05 -16.71 26.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 75.22 109.316 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.08 -64.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 53.13 109.288 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.554 ' O ' HD13 ' A' ' 463' ' ' LEU . 4.1 ptp85 -58.66 -27.87 65.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 74.44 110.355 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.843 ' HA ' HD22 ' A' ' 463' ' ' LEU . 10.0 t30 -69.93 -39.07 76.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 72.11 109.266 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.834 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.24 -29.37 46.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 63.04 109.291 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.77 HG23 ' CE1' ' A' ' 92' ' ' PHE . 14.8 mt -86.18 -28.82 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 74.34 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.843 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.1 OUTLIER -58.64 -40.68 84.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 64.02 109.314 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 18' ' ' LEU . . . -73.96 -59.5 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 74.11 109.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.041 HD11 HG21 ' A' ' 112' ' ' ILE . 19.0 mt -42.8 -30.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 73.25 109.286 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.881 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.84 -71.96 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.05 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.744 ' HZ3' ' HG3' ' A' ' 72' ' ' MET . 25.1 mtpt -45.4 -61.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 53.13 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.839 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 58.3 t -46.72 -46.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 74.12 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 26.9 t -65.98 -27.0 67.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 75.24 110.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -74.21 -44.95 51.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 73.33 110.302 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.979 ' HE3' HD11 ' A' ' 51' ' ' LEU . 2.3 mtm -45.21 -23.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 74.11 111.001 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.618 ' HB2' ' HE3' ' A' ' 36' ' ' MET . 18.1 t80 -88.71 -33.79 17.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 75.51 111.032 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 470' ' ' ARG . 2.7 m -80.98 -1.93 45.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 65.25 109.995 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 12.0 p -111.69 -47.16 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 74.04 109.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.27 -36.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 64.05 109.27 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 74.15 110.232 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.6 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.39 -0.226 . . . . 73.21 110.39 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -40.04 -39.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 62.23 110.351 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.87 -46.48 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 55.42 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 5' ' ' THR . 12.6 mm100 -56.07 -30.59 62.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 74.12 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.815 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -67.9 -27.1 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.54 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.79 -12.55 59.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 71.34 109.257 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.48 ' CD ' ' CD ' ' A' ' 456' ' ' LYS . 6.0 mm-40 -76.05 -71.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 70.2 110.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.513 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 38.8 m-85 -41.17 -28.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 64.3 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 29.5 mttt -50.68 -49.03 58.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 61.24 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 461' ' ' LYS . 72.3 mt-10 -61.34 -43.85 98.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.52 110.252 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -66.39 -15.2 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 64.01 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.54 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 4.5 t80 -85.94 -37.81 18.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 72.41 110.999 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.07 -19.96 63.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 63.13 109.252 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.899 HD21 ' HG3' ' A' ' 461' ' ' LYS . 52.9 mt -49.76 -41.77 44.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 62.22 109.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.658 ' HB2' HD13 ' A' ' 27' ' ' ILE . 3.1 m-85 -109.75 -47.2 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 55.24 111.027 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.54 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -58.25 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 45.4 109.286 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.692 ' CE ' HG21 ' A' ' 34' ' ' THR . 31.4 mmtt -66.85 -67.14 0.47 Allowed 'General case' 0 C--O 1.215 -0.734 0 CA-C-O 123.638 1.685 . . . . 72.25 109.27 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -75.7 -8.27 56.4 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 117.887 -1.054 . . . . 72.24 109.981 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.9 m-80 52.0 61.39 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 74.31 109.295 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.4 p30 -91.72 -22.57 20.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 72.1 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 110.04 31.06 3.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 61.32 111.004 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.94 111.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 71.33 109.985 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.658 HD13 ' HB2' ' A' ' 19' ' ' PHE . 94.9 mt -91.15 104.27 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 75.12 109.279 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.54 158.85 35.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 53.4 109.975 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -55.14 -24.31 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 75.12 109.996 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.7 -26.15 44.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 74.31 109.943 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.757 ' O ' HG22 ' A' ' 34' ' ' THR . 40.1 mt-10 -90.59 -30.03 17.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 74.04 110.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.014 HD22 HG13 ' A' ' 48' ' ' VAL . 1.7 tt -70.19 -52.46 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 74.21 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.622 ' HB1' ' NH2' ' A' ' 37' ' ' ARG . . . -67.07 -12.4 59.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 51.33 109.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -68.43 -24.3 64.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 75.24 110.384 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -91.34 -61.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 53.14 109.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.565 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 95.2 mtp -41.81 -57.77 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 63.21 110.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.622 ' NH2' ' HB1' ' A' ' 33' ' ' ALA . 5.2 ptp180 -55.27 -40.64 71.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 72.21 110.255 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 7.8 t -57.0 -34.02 67.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 60.35 109.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.983 HD13 HG23 ' A' ' 465' ' ' ILE . 23.4 mt -74.36 -21.21 59.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.12 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.97 3.96 8.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 54.04 111.067 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.37 -176.89 4.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 65.32 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.469 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 55.6 m -161.73 60.77 1.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 72.14 109.997 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.98 144.45 30.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 74.24 111.018 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.0 p -88.02 140.33 29.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 65.11 109.974 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 18.0 tt0 -50.31 -27.88 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 63.23 110.306 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -49.37 76.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 62.44 109.321 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.94 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.0 OUTLIER -75.76 -51.92 11.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 73.41 110.276 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.014 HG13 HD22 ' A' ' 32' ' ' LEU . 55.5 t -39.91 -34.79 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 60.32 109.347 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 90.5 m-20 -67.01 -63.14 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 73.13 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.561 ' HB3' HD13 ' A' ' 475' ' ' LEU . 1.5 t70 -57.52 -16.8 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 54.03 109.332 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.753 ' HB2' HD22 ' A' ' 475' ' ' LEU . 1.3 tm? -80.07 -52.44 7.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 61.13 109.309 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.538 ' HB2' HD11 ' A' ' 63' ' ' ILE . 10.9 ptm -79.16 -11.89 59.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 71.44 111.015 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' ASN . 6.6 m-80 -87.28 -8.2 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 72.44 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.458 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.2 mm-40 -81.39 -21.77 38.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 62.53 110.28 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.746 HG13 HD22 ' A' ' 71' ' ' LEU . 1.9 mm -107.35 -40.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 71.34 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.5 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 5.0 t0 -39.27 116.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 73.21 109.28 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.8 t -94.93 -7.78 9.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 123.631 1.681 . . . . 62.44 109.285 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 42.1 p-10 -117.62 -10.94 10.5 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 117.941 -1.028 . . . . 75.32 110.007 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 62.73 36.26 93.06 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.426 1.079 . . . . 74.53 110.973 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.5 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 31.4 p-10 -92.42 27.3 2.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 72.4 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.634 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 47.1 t60 43.41 42.52 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 65.42 109.585 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.528 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 37.3 mt-30 -160.95 162.35 31.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 63.11 110.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.538 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.3 OUTLIER -111.4 126.19 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 74.31 109.328 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.464 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -94.15 175.23 6.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 73.43 110.294 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.815 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.2 t80 -74.53 -12.69 60.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 72.03 110.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -90.9 -43.0 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.1 109.993 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -70.37 -56.03 7.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 74.32 110.301 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 86.7 t80 -50.22 -45.98 54.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 70.14 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.772 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -67.34 -34.19 76.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 72.23 109.292 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.63 -16.3 62.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 74.54 109.304 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.766 HD21 ' CE ' ' A' ' 471' ' ' MET . 15.8 tp -77.04 -60.64 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 75.04 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.455 ' HE1' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -39.9 -49.5 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 72.01 110.954 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 m -72.75 -33.19 66.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 63.35 110.027 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 74.34 110.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.829 ' HB3' HD11 ' A' ' 137' ' ' ILE . 7.1 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.293 -0.632 . . . . 73.05 109.293 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 87' ' ' GLU . 2.8 pp -57.19 -46.92 82.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 62.22 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.555 ' O ' HG23 ' A' ' 91' ' ' VAL . 43.2 mm-40 -51.69 -44.45 63.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 75.25 110.313 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.783 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -80.59 -24.65 39.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 64.52 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.7 t80 -66.18 -64.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 72.02 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -61.02 -31.26 70.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 71.1 109.289 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.1 t -60.94 -56.38 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 75.14 109.3 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 1.013 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.7 m-85 -64.56 -43.8 92.77 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 123.623 1.678 . . . . 74.23 111.004 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.86 99.01 1.32 Allowed 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 117.896 -1.049 . . . . 61.01 109.98 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -30.22 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 65.14 109.339 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -78.32 -43.5 27.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 72.11 109.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.96 78.52 1.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 74.14 110.971 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.655 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.62 11.46 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 74.43 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.868 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 68.08 18.81 71.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 72.25 110.989 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -149.88 111.34 4.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 0.798 . . . . 64.53 109.279 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.6 HD13 ' CB ' ' A' ' 92' ' ' PHE . 64.6 mt -77.13 104.74 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 71.53 109.306 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -70.22 -175.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 30.05 110.012 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.584 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -54.01 -70.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 51.52 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.16 -67.15 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 75.24 109.256 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ALA . 36.3 mt-10 -37.64 -29.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 64.54 110.284 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.893 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.4 OUTLIER -93.05 -72.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 44.53 109.307 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.599 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -46.04 -56.99 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.02 109.274 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.602 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -47.2 -42.13 19.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 73.24 109.631 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 1.013 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -64.95 -48.4 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 72.05 109.284 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 114' ' ' GLU . 2.8 mm? -59.69 -30.02 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 72.41 109.322 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.5 m -82.12 -23.83 35.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 73.51 110.404 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 38' ' ' SER . 0.4 OUTLIER -71.98 -7.87 51.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 72.44 109.988 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.88 HD13 HD11 ' A' ' 465' ' ' ILE . 15.6 pt -114.61 -33.09 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 54.35 109.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.16 -34.43 0.85 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 30.41 111.039 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' LEU . 10.8 mm-40 -61.46 111.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 65.35 110.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -108.91 105.11 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.02 109.289 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.464 HD23 ' HB3' ' A' ' 120' ' ' GLU . 5.9 mp -115.04 146.51 41.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 75.13 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.1 p -79.41 157.84 27.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 62.45 110.398 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 0.8 OUTLIER -54.3 -32.64 56.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 61.15 109.326 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.73 -24.96 53.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 72.24 109.332 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.464 ' HB3' HD23 ' A' ' 116' ' ' LEU . 41.2 mm-40 -77.71 -55.69 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 72.21 110.315 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -64.08 -50.44 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 75.14 109.326 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.517 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 12.7 t0 -47.6 -24.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 60.01 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.67 -35.24 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 74.25 109.309 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 121' ' ' VAL . 28.3 ttm -63.82 -30.73 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 75.3 110.941 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.987 HD13 ' O ' ' A' ' 133' ' ' GLY . 12.7 mt -68.34 -58.34 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 50.15 109.289 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 125' ' ' LEU . 15.1 mtt-85 -36.32 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 65.14 110.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.5 mm-40 -43.39 -49.29 7.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 62.14 110.321 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.411 HG11 ' CB ' ' A' ' 142' ' ' ALA . 31.2 m -132.49 8.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 65.34 109.271 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.45 ' HB3' ' C ' ' A' ' 125' ' ' LEU . 1.4 p -91.95 1.92 56.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 44.31 109.966 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.3 t70 51.12 27.17 3.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 63.3 109.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . . . 89.27 -23.64 17.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.152 . . . . 64.14 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 133' ' ' GLY . 86.2 p -39.07 -78.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 71.24 110.016 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.987 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 147.84 -17.64 1.41 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 73.13 111.027 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.6 mt-10 -119.96 178.9 4.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 0.772 . . . . 74.24 110.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.893 HD11 ' CD1' ' A' ' 105' ' ' LEU . 5.4 pt -148.03 119.86 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 54.42 109.341 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.588 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -87.56 175.87 7.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 64.53 109.323 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.829 HD11 ' HB3' ' A' ' 85' ' ' LEU . 5.3 tp -47.58 -23.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 63.24 109.262 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.422 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 2.9 mm-40 -84.12 -58.3 2.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 74.43 110.333 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.662 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 22.5 mt-30 -62.19 -55.99 23.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 71.14 110.326 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.415 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 37.6 t80 -43.1 -46.55 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.25 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.91 74.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 14.03 109.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.82 -36.31 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 41.12 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.464 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 1.0 OUTLIER -61.46 -62.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 71.32 109.305 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.603 ' N ' HD23 ' A' ' 144' ' ' LEU . 1.8 mt -51.05 -22.43 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 71.42 109.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 74.34 109.986 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.258 -0.275 . . . . 74.43 110.258 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.48 ' CD ' ' CD ' ' A' ' 11' ' ' GLU . 3.3 ptpt -68.18 -30.75 69.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 71.32 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -92.32 -16.24 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.13 109.303 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 458' ' ' LEU . 2.0 tm? -63.95 -57.2 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 70.32 109.315 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 143' ' ' LEU . 3.5 ptp180 -71.6 -19.83 62.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 71.31 110.275 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.88 ' HA ' HD22 ' A' ' 463' ' ' LEU . 19.5 t30 -63.7 -31.07 72.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.34 109.289 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.899 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -57.03 -26.72 60.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 70.11 109.269 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.708 HG23 ' CE1' ' A' ' 92' ' ' PHE . 7.4 mt -86.5 -35.96 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 65.22 109.278 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.88 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.6 OUTLIER -46.78 -46.58 20.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 74.12 109.338 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -71.87 -59.87 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 43.05 109.353 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 0.983 HG23 HD13 ' A' ' 39' ' ' LEU . 93.4 mt -40.36 -31.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 71.33 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.783 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.02 -72.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 75.24 109.313 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.455 ' CB ' ' HE3' ' A' ' 72' ' ' MET . 35.4 mttt -40.37 -67.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 74.13 109.29 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.556 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 55.7 t -39.12 -38.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 72.5 109.326 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 466' ' ' ALA . 0.1 OUTLIER -71.73 -68.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 74.13 109.947 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.719 ' NH1' HG21 ' A' ' 474' ' ' VAL . 0.0 OUTLIER -37.06 -51.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 75.1 110.303 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.766 ' CE ' HD21 ' A' ' 71' ' ' LEU . 2.2 mtm -42.11 -49.98 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 75.34 111.029 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.565 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 10.7 t80 -50.26 -37.46 36.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.14 110.996 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -71.22 -25.76 62.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 72.42 109.993 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.719 HG21 ' NH1' ' A' ' 470' ' ' ARG . 45.0 t -79.52 -52.01 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 74.31 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.94 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -43.14 -37.67 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.01 109.297 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 71.42 110.3 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.5 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.403 -0.221 . . . . 61.32 110.403 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -41.44 -35.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 63.21 110.332 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 7.6 tt0 -67.88 -46.7 70.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 74.23 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.439 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 11.8 mm100 -57.06 -35.94 69.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.2 110.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.814 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 1.7 mm -65.58 -21.88 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 72.51 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -83.1 -12.33 57.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 63.51 109.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -81.34 -64.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 75.52 110.338 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 52.2 m-85 -50.27 -24.35 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 54.33 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.4 mtmt -56.17 -38.86 71.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 72.42 109.272 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' CB ' ' HE2' ' A' ' 461' ' ' LYS . 5.3 mm-40 -70.42 -45.41 65.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 63.44 110.281 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -61.98 -15.33 42.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 54.05 109.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 5.8 t80 -83.04 -36.45 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 72.31 111.026 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -27.1 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 71.32 109.256 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.767 HD21 ' HG3' ' A' ' 461' ' ' LYS . 72.8 mt -41.53 -34.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 73.14 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.68 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 5.6 m-85 -116.07 -54.28 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 72.44 111.027 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.587 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -50.91 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 64.35 109.348 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' PHE . 39.0 mmtt -72.75 -67.03 0.59 Allowed 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 123.636 1.684 . . . . 72.53 109.297 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -71.48 -3.51 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.903 -1.046 . . . . 75.03 109.976 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.9 m120 44.38 63.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 71.15 109.271 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 18.5 p-10 -96.07 -24.71 16.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 73.54 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.36 29.4 3.21 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.118 . . . . 74.34 111.004 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.91 111.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 44.32 110.003 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 54.1 mt -84.94 109.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 72.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 p -67.73 168.15 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 64.32 109.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.449 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 1.6 t -68.7 -33.57 74.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 75.33 109.995 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.07 -20.63 60.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 61.51 110.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.658 ' O ' HG22 ' A' ' 34' ' ' THR . 45.9 mt-10 -90.81 -40.28 11.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 53.21 110.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.712 HD22 HG13 ' A' ' 48' ' ' VAL . 2.5 tt -63.39 -51.72 64.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 64.32 109.246 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.475 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -65.87 -12.12 52.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.25 109.28 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -70.14 -29.53 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 74.45 110.429 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.554 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 1.8 t -83.33 -65.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 73.15 109.343 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.518 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 78.7 mtp -41.03 -48.28 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 64.2 110.975 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.1 ptm180 -62.35 -39.21 92.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.45 110.346 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.424 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.0 m -61.18 -15.66 36.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 54.21 110.009 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.054 HD13 HG23 ' A' ' 465' ' ' ILE . 8.7 mt -91.54 -19.01 23.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 73.04 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.37 -3.72 8.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.097 . . . . 53.15 110.955 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.511 HD13 ' HE2' ' A' ' 36' ' ' MET . 20.5 mt -73.19 -178.25 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 72.01 109.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.485 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 11.5 p -159.8 59.92 1.4 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 73.33 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -75.01 115.3 4.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 64.42 111.031 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -67.24 139.97 57.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 61.01 110.015 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.477 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 27.4 tt0 -43.25 -43.74 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 74.45 110.325 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.96 -50.74 18.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 53.11 109.272 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.18 -48.16 37.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 74.52 110.333 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.712 HG13 HD22 ' A' ' 32' ' ' LEU . 98.7 t -43.12 -32.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 74.11 109.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.587 HD22 ' N ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -65.25 -63.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 62.53 109.27 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.57 -13.82 35.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 74.24 109.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.665 ' C ' HD13 ' A' ' 51' ' ' LEU . 1.2 tm? -79.13 -53.44 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 55.42 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 61' ' ' HIS . 1.8 ptp -76.45 -21.55 55.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 72.41 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -78.33 -7.88 57.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 64.23 109.293 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.488 ' C ' HD13 ' A' ' 55' ' ' ILE . 15.7 mm-40 -85.64 -13.95 47.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 61.31 110.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.654 HD11 ' SD ' ' A' ' 471' ' ' MET . 1.4 mm -117.98 -40.83 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 63.42 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 4.7 t0 -38.57 115.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 73.13 109.266 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 97.3 t -94.8 -7.22 10.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.687 1.708 . . . . 75.41 109.351 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 53.7 p-10 -120.12 -10.56 9.39 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.922 -1.037 . . . . 74.31 109.987 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 64.3 37.34 94.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 54.34 111.0 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.4 p-10 -96.76 31.88 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 52.11 109.283 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.644 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 48.4 t60 40.27 38.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.22 109.615 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.451 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 35.6 mt-30 -157.65 177.57 11.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 71.45 110.318 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.07 127.78 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 72.1 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -95.29 168.09 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.03 110.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.814 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 1.9 t80 -69.5 -13.15 62.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.12 111.043 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.9 p -87.22 -47.08 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 51.14 110.012 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 18.0 mt-10 -69.51 -49.14 57.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 65.13 110.311 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -53.67 -43.51 68.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 75.02 111.0 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -72.51 -34.6 67.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 73.15 109.305 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.37 -15.83 61.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 60.25 109.303 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.625 HD13 HD12 ' A' ' 55' ' ' ILE . 19.2 tp -73.46 -46.83 45.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 74.53 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' A' ' 467' ' ' LYS . 1.0 OUTLIER -61.76 -40.32 94.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 74.32 110.986 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.1 t -72.07 -9.93 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 75.34 109.993 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 72.51 110.302 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.125 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.26 -0.645 . . . . 70.52 109.26 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 87' ' ' GLU . 1.5 pp -63.61 -47.73 80.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 71.15 109.273 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.646 ' N ' HD12 ' A' ' 86' ' ' LEU . 56.8 mm-40 -54.11 -34.74 61.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 75.34 110.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -90.34 -20.94 22.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 64.15 109.328 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' LEU . 21.8 t80 -67.83 -63.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 54.34 111.007 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' NZ ' ' CB ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -63.27 -32.75 74.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 52.22 109.302 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 1.9 t -58.96 -57.44 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 73.03 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 1.007 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.7 m-85 -62.03 -42.9 99.67 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 123.624 1.678 . . . . 72.44 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -70.13 98.6 1.35 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 117.91 -1.043 . . . . 54.33 109.96 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -30.34 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 72.15 109.27 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.463 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -77.83 -45.41 24.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 75.53 109.317 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.35 77.69 1.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.455 1.097 . . . . 74.15 110.971 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.646 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.86 10.48 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 61.54 109.301 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.859 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.72 18.31 73.92 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 71.44 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.859 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -149.7 110.56 4.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 72.43 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.584 HD13 ' CB ' ' A' ' 92' ' ' PHE . 68.9 mt -74.96 103.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 72.11 109.329 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -70.08 174.9 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 71.43 109.984 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -46.01 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 74.22 109.345 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.39 -67.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 64.24 109.315 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 103' ' ' ALA . 37.6 mt-10 -37.63 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 72.14 110.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.77 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.5 OUTLIER -93.94 -72.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 73.04 109.325 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.662 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -47.74 -55.79 8.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 62.32 109.27 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.606 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -47.98 -40.29 22.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.54 109.571 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 1.007 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -66.82 -50.1 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 65.2 109.276 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.0 -35.23 66.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 63.34 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 99.3 m -80.16 -16.87 53.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 54.52 110.394 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.0 -2.09 54.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.41 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.941 HG21 HD11 ' A' ' 465' ' ' ILE . 6.8 pt -115.83 -33.85 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 65.41 109.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.431 ' N ' HG13 ' A' ' 112' ' ' ILE . . . 153.6 -39.02 0.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 61.03 111.008 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 110' ' ' THR . 7.4 mm-40 -49.2 174.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 72.2 110.314 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.77 105.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 74.22 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.603 ' CD2' ' CE ' ' A' ' 124' ' ' MET . 5.9 mp -121.86 138.51 54.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 71.13 109.303 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.3 p -75.42 157.38 34.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 63.34 110.415 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 4.8 t70 -54.63 -23.03 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 74.43 109.313 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.11 -26.24 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 71.34 109.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -79.01 -50.86 10.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 74.13 110.254 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.662 HG21 ' HB3' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -66.69 -50.99 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 74.43 109.32 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.528 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 16.2 t70 -49.7 -25.3 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 65.44 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -37.02 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 71.22 109.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.603 ' CE ' ' CD2' ' A' ' 116' ' ' LEU . 4.3 tpp -56.32 -37.38 69.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 75.54 110.978 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 127' ' ' GLU . 9.6 mt -64.31 -54.47 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 63.51 109.259 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 125' ' ' LEU . 40.7 mtt180 -36.9 -31.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 71.23 110.272 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' LEU . 73.0 mm-40 -44.26 -50.14 9.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 73.43 110.3 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.52 HG11 ' CB ' ' A' ' 142' ' ' ALA . 33.0 m -132.18 11.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.23 109.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 132' ' ' SER . 2.4 p -98.21 5.33 48.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 70.14 109.982 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' SER . 25.8 t70 40.39 36.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 71.15 109.275 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.98 46.67 90.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 63.13 110.984 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 129' ' ' SER . 2.2 m -97.89 -72.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 61.43 109.995 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.26 -16.46 1.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 71.22 110.995 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 27.5 mt-10 -141.81 170.33 15.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 71.04 110.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.77 HD11 ' CD1' ' A' ' 105' ' ' LEU . 4.8 pt -138.36 130.44 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 62.12 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.559 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.75 -174.36 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.35 109.284 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.542 HD12 HD12 ' A' ' 85' ' ' LEU . 11.2 tp -58.06 -16.46 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 65.33 109.326 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.505 HE21 HG23 ' A' ' 137' ' ' ILE . 5.6 mm-40 -90.34 -49.68 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 61.21 110.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.668 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 29.4 mt-30 -70.53 -56.97 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 74.01 110.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.418 ' CD2' HD13 ' A' ' 85' ' ' LEU . 16.5 t80 -43.52 -49.12 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 72.12 110.989 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 1.125 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -62.05 -31.83 72.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 71.12 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -55.33 -29.43 58.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 73.14 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.45 -47.23 34.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 74.35 109.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.699 HD21 HD12 ' A' ' 462' ' ' ILE . 8.1 mt -74.22 -4.18 34.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 74.44 109.305 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 63.31 110.001 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.279 -0.267 . . . . 71.32 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -23.14 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 62.25 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . 0.437 ' O ' ' NZ ' ' A' ' 461' ' ' LYS . . . -75.15 -22.09 58.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 72.43 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.18 -52.39 65.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 74.31 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -69.68 -21.89 63.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 73.31 110.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.59 ' HA ' HD12 ' A' ' 463' ' ' LEU . 30.3 t30 -73.2 -23.6 60.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 73.32 109.32 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.767 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -65.57 -25.32 67.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 62.13 109.287 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.736 HG23 ' HE1' ' A' ' 92' ' ' PHE . 6.1 mt -90.4 -37.95 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 52.32 109.332 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 460' ' ' ASN . 94.8 mt -40.41 -48.59 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 54.24 109.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 0.597 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -68.03 -55.62 11.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.127 . . . . 74.33 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.054 HG23 HD13 ' A' ' 39' ' ' LEU . 22.6 mt -50.61 -21.74 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 71.13 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.04 -66.89 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 70.51 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.472 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 24.6 mttt -57.7 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 62.53 109.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.68 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 61.8 t -39.2 -38.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 70.25 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 10.1 t -71.66 -48.51 47.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 75.11 110.023 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.3 OUTLIER -57.13 -36.02 70.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 75.55 110.279 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.654 ' SD ' HD11 ' A' ' 55' ' ' ILE . 8.4 mtm -51.12 -22.42 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.42 111.015 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.518 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 13.4 t80 -89.1 -25.43 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 65.42 110.979 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 5.8 t -91.62 -2.8 56.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 73.42 110.01 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 471' ' ' MET . 10.8 p -107.65 -48.66 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.3 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.586 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.1 OUTLIER -40.2 -33.58 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 65.14 109.271 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.41 110.283 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.2 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.408 -0.219 . . . . 72.23 110.408 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -41.07 -33.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 73.11 110.312 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 30.7 tt0 -69.95 -48.74 57.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.34 110.253 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' THR . 9.5 mm100 -53.58 -34.16 57.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 72.32 110.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.151 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.6 mm -65.59 -29.98 48.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 75.02 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -70.65 -12.37 61.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 64.54 109.337 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -79.16 -62.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 62.33 110.306 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -52.23 -20.14 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 65.23 110.949 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 2.6 mttt -52.8 -21.35 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 74.05 109.273 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.98 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 74.25 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.049 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -57.83 -17.44 16.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 72.55 109.275 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.605 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 8.4 t80 -78.2 -40.83 36.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 70.23 110.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.62 68.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 70.42 109.261 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.979 HD21 ' HG3' ' A' ' 461' ' ' LYS . 72.9 mt -41.28 -41.65 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 70.14 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.603 ' HZ ' HG11 ' A' ' 468' ' ' VAL . 18.2 m-85 -104.42 -54.7 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 74.31 110.998 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.605 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.75 92.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 64.23 109.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' PHE . 44.1 mmtt -72.39 -67.34 0.56 Allowed 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.643 1.687 . . . . 63.03 109.318 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 22' ' ' ASP . 2.9 p30 -72.98 -6.45 45.45 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 117.908 -1.044 . . . . 73.03 109.949 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.1 m120 49.44 65.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 62.32 109.306 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -98.54 -25.62 14.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 73.5 109.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.4 30.61 2.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 51.2 110.979 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.9 p -168.92 111.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.776 . . . . 75.33 109.989 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 45.3 mt -87.86 107.46 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 72.43 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 p -71.15 157.62 37.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 74.3 109.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -60.62 -26.63 67.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 44.42 109.997 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -71.34 -25.33 62.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 61.44 109.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.622 ' O ' HG22 ' A' ' 34' ' ' THR . 45.7 mt-10 -90.73 -46.42 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 72.41 110.315 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.031 HD22 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -55.64 -50.18 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 64.02 109.3 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.678 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -64.56 -12.61 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 71.32 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -74.96 -32.66 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 71.15 110.425 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -88.8 -60.91 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 73.43 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.458 ' SD ' HD21 ' A' ' 32' ' ' LEU . 77.1 mtp -40.97 -47.26 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.45 111.013 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 9.2 ptm180 -70.13 -35.21 73.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 62.35 110.282 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' VAL . 5.0 m -62.49 -22.25 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 74.12 109.976 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.014 HD13 HG23 ' A' ' 465' ' ' ILE . 10.4 mt -80.34 -18.3 49.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.05 109.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.93 2.34 8.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 71.43 111.027 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.0 mt -87.3 -173.96 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 52.53 109.301 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.453 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 48.1 t -164.98 61.94 0.85 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 51.44 109.969 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 124.37 8.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 63.21 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' GLU . 68.4 m -69.53 140.62 53.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 73.15 110.013 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -42.84 -28.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 75.04 110.309 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.79 -47.78 76.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 75.33 109.285 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' SER . 1.2 mt-10 -76.15 -49.75 16.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 75.11 110.358 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.031 HG13 HD22 ' A' ' 32' ' ' LEU . 53.4 t -40.93 -42.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 71.13 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ASN . 90.9 m-20 -62.64 -63.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 73.13 109.26 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -18.07 4.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 52.44 109.34 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -78.75 -52.85 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 75.55 109.249 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.606 ' HB2' HD11 ' A' ' 63' ' ' ILE . 10.3 ptm -80.97 -8.79 59.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 70.04 110.976 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.5 m-80 -86.09 -10.13 55.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 71.01 109.272 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.53 ' C ' HD13 ' A' ' 55' ' ' ILE . 15.2 mm-40 -85.61 -10.17 56.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 65.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.899 HG13 HD22 ' A' ' 71' ' ' LEU . 2.7 mm -117.91 -42.77 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 75.14 109.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.493 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 5.9 t0 -39.44 116.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.52 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.58 -7.84 9.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 CA-C-O 123.595 1.664 . . . . 62.51 109.292 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 32.3 p-10 -115.41 -10.25 12.01 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.899 -1.048 . . . . 71.05 109.969 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 58.84 39.28 93.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 64.01 111.033 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.493 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.3 p-10 -96.28 25.26 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 74.55 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.67 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 41.3 t60 47.36 40.85 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 51.33 109.649 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.522 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 59.4 mt-30 -160.29 176.29 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 35.44 110.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -123.42 127.09 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 70.44 109.297 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.89 173.72 6.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 75.11 110.291 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 1.151 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 4.0 t80 -74.16 -10.74 59.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 74.34 110.983 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 2.2 p -92.52 -32.85 14.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 64.22 110.025 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.51 -53.56 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 72.13 110.313 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CD2' ' HD1' ' A' ' 16' ' ' PHE . 87.7 t80 -54.03 -49.8 68.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 75.04 111.005 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.085 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.35 -23.62 67.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 70.34 109.296 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.085 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -86.08 -15.59 40.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 60.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.914 HD21 ' SD ' ' A' ' 471' ' ' MET . 9.2 tp -73.61 -48.55 31.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 54.43 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -56.27 -36.33 68.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 62.04 110.997 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.0 p -90.58 22.22 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 64.25 110.013 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 73.02 110.284 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.076 HD21 ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.327 -0.62 . . . . 70.13 109.327 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.426 HD12 ' HD2' ' A' ' 90' ' ' LYS . 1.8 pp -47.25 -38.3 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 72.32 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 5.6 mm-40 -66.75 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 72.14 110.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.914 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -63.4 -11.86 26.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 72.21 109.302 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' LEU . 36.3 t80 -85.4 -55.98 3.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 75.03 111.003 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' HD2' HD12 ' A' ' 86' ' ' LEU . 2.0 ptmm? -66.89 -35.8 80.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 73.33 109.336 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 1.3 p -59.52 -48.46 87.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 61.3 109.293 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.949 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.0 m-85 -68.78 -42.28 77.61 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.64 1.686 . . . . 75.22 111.004 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -73.08 100.03 2.92 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.876 -1.059 . . . . 63.12 110.012 179.693 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -31.16 19.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 65.31 109.29 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.5 -50.85 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 60.35 109.267 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.452 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 90.77 68.09 1.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 23.11 111.01 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.493 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -124.79 -0.3 8.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 71.15 109.292 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.899 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 84.89 13.69 71.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 34.11 110.99 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.899 HD23 ' O ' ' A' ' 98' ' ' GLY . 0.9 OUTLIER -149.6 113.9 5.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 74.34 109.304 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.599 HD13 ' CB ' ' A' ' 92' ' ' PHE . 68.9 mt -73.2 99.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 75.31 109.24 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.4 p -63.9 168.8 4.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 54.53 110.016 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -43.62 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 64.13 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -42.28 -65.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 64.4 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -38.95 -28.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 73.32 110.279 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.958 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -91.55 -72.93 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 73.42 109.316 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.66 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -45.58 -60.41 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 73.34 109.319 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.631 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.75 -41.43 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 71.04 109.596 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.949 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -67.99 -57.35 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 72.12 109.305 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.514 HD23 HG12 ' A' ' 108' ' ' VAL . 3.5 mt -53.7 -23.35 11.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 70.52 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.2 m -83.89 -25.96 29.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 51.22 110.392 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.684 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.53 -9.03 46.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 75.33 110.017 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.941 HG21 HD11 ' A' ' 465' ' ' ILE . 12.9 pt -112.18 -32.03 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 73.43 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.71 -33.72 0.97 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.137 . . . . 52.31 111.035 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 109' ' ' LEU . 4.0 mm-40 -65.29 106.02 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 71.12 110.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.92 98.9 8.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 61.13 109.249 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.562 HD13 ' HB3' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -96.97 127.13 42.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 71.24 109.265 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.4 p -65.44 158.03 27.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 71.13 110.409 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -55.31 -22.27 18.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 65.53 109.285 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.78 -22.89 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 60.11 109.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.562 ' HB3' HD13 ' A' ' 116' ' ' LEU . 8.3 mm-40 -82.25 -62.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 72.22 110.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.66 HG21 ' HG2' ' A' ' 106' ' ' LYS . 4.1 p -52.12 -50.95 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 54.41 109.296 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.506 ' HA ' HD12 ' A' ' 125' ' ' LEU . 2.3 t70 -47.08 -25.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 71.43 109.303 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 121' ' ' VAL . 28.2 t70 -91.54 -35.5 14.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 71.53 109.334 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.473 ' HE3' ' HB2' ' A' ' 124' ' ' MET . 23.5 ttm -61.39 -33.66 74.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 63.34 111.016 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 122' ' ' ASP . 5.1 mt -67.24 -55.9 12.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 45.44 109.261 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 125' ' ' LEU . 36.0 mtt-85 -37.87 -29.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 73.12 110.31 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 88.3 mt-10 -48.91 -50.64 34.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 74.3 110.292 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.42 HG11 ' CB ' ' A' ' 142' ' ' ALA . 34.5 m -131.35 16.92 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 73.11 109.335 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.5 p -104.26 7.81 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 55.13 110.015 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' SER . 21.8 t70 39.21 46.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 70.24 109.328 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.06 47.52 72.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 53.2 111.001 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 129' ' ' SER . 28.9 t -106.73 -77.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 65.12 109.993 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 150.06 -17.27 1.05 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 60.24 111.042 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.421 ' HB3' ' CB ' ' A' ' 99' ' ' LEU . 21.1 mt-10 -136.02 159.43 41.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 65.14 110.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.958 HD11 ' CD1' ' A' ' 105' ' ' LEU . 6.2 pt -131.32 129.57 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 73.23 109.294 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.634 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.4 -174.01 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 71.31 109.32 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.446 HD13 ' CD2' ' A' ' 89' ' ' PHE . 11.1 tp -59.23 -15.5 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 72.11 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -90.3 -51.12 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 63.04 110.284 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.632 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 28.6 mt-30 -70.03 -56.34 7.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 64.43 110.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' A' ' 136' ' ' ASN . 12.8 t80 -43.55 -48.02 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 73.35 110.993 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 1.076 ' CB ' HD21 ' A' ' 85' ' ' LEU . . . -55.47 -35.69 65.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 71.43 109.264 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.42 -35.87 5.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 62.5 109.297 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.6 -42.12 71.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 73.01 109.317 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 141' ' ' ALA . 8.0 mt -79.04 1.51 23.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 75.3 109.291 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 64.34 109.949 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.275 -0.268 . . . . 73.33 110.275 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.522 ' HE3' ' HB2' ' A' ' 457' ' ' ALA . 0.0 OUTLIER -58.98 -24.98 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 65.55 109.352 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . 0.522 ' HB2' ' HE3' ' A' ' 456' ' ' LYS . . . -83.54 -18.24 39.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 42.23 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.5 OUTLIER -64.09 -48.71 75.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 72.1 109.297 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' ARG . . . . . 0.442 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 1.3 ptp85 -76.29 -35.95 58.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 73.43 110.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' ASN . . . . . 0.983 ' OD1' HD12 ' A' ' 463' ' ' LEU . 2.4 t30 -58.84 -31.23 68.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 62.42 109.331 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' LYS . . . . . 0.979 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -63.31 -29.17 70.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.34 109.25 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.717 HG23 ' HE1' ' A' ' 92' ' ' PHE . 13.6 mt -89.45 -33.12 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 74.13 109.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.983 HD12 ' OD1' ' A' ' 460' ' ' ASN . 61.0 mt -47.2 -50.23 21.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.32 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' ALA . . . . . 1.049 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -65.72 -59.03 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 64.43 109.305 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 1.014 HG23 HD13 ' A' ' 39' ' ' LEU . 49.6 mt -42.01 -28.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 65.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . 0.914 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -81.86 -72.43 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 74.35 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 469' ' ' SER . 1.2 mtmm -44.55 -64.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 61.01 109.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' VAL . . . . . 0.923 HG22 ' O ' ' A' ' 464' ' ' ALA . 12.4 m -38.52 -31.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.43 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 467' ' ' LYS . 5.5 t -82.76 -67.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 71.14 110.024 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.58 ' HD3' HG23 ' A' ' 474' ' ' VAL . 1.3 tmt_? -38.63 -30.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.12 110.272 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' MET . . . . . 0.914 ' SD ' HD21 ' A' ' 71' ' ' LEU . 5.5 mtp -56.97 -48.7 77.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 72.32 111.004 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 4.6 t80 -49.47 -30.3 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.33 111.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 4.2 m -79.1 -27.99 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 53.43 110.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' VAL . . . . . 0.58 HG23 ' HD3' ' A' ' 470' ' ' ARG . 60.7 t -78.23 -56.43 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 61.41 109.294 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.784 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -39.56 -38.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 73.12 109.3 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 61.13 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.968 -0.853 . . . . 41.54 110.968 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 45.61 37.79 3.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 75.34 110.067 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.6 142.77 46.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 61.45 109.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -134.32 64.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 75.21 109.307 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.879 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -114.55 153.83 29.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 71.54 109.268 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p -98.27 164.64 12.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 73.22 110.432 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -46.68 -38.95 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 72.25 110.303 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -68.07 -36.48 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 62.23 110.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 4' ' ' LEU . 18.9 mm100 -64.55 -31.17 72.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 74.3 110.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.64 HG23 HD22 ' A' ' 69' ' ' LEU . 3.5 mm -67.11 -20.67 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 64.32 109.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.39 -12.39 54.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 70.42 109.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CG ' ' HA ' ' A' ' 8' ' ' GLN . 25.9 mm-40 -76.86 -67.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 72.21 110.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.879 ' CZ ' HD13 ' A' ' 4' ' ' LEU . 38.7 m-85 -44.49 -25.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 72.24 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.587 ' CG ' ' CE1' ' A' ' 65' ' ' PHE . 23.5 mttt -53.57 -45.97 70.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 75.32 109.321 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.476 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 26.3 mm-40 -63.78 -44.33 93.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 70.22 110.252 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.735 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -65.96 -15.27 62.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 64.12 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.609 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.2 t80 -81.93 -44.81 16.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 64.42 110.95 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.57 -27.34 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.24 109.28 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.932 HD21 ' HG2' ' A' ' 461' ' ' LYS . 93.5 mt -40.33 -40.53 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 55.43 109.29 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.829 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 5.2 m-85 -113.14 -53.47 2.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.41 1.069 . . . . 62.21 110.967 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.609 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -51.88 95.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 72.43 109.329 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HE3' HG21 ' A' ' 34' ' ' THR . 5.1 mmtp -75.87 -67.06 0.71 Allowed 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.642 1.687 . . . . 74.24 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -69.38 -7.33 36.52 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 117.931 -1.033 . . . . 45.45 109.973 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 49.66 62.73 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 73.34 109.307 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 24.1 p-10 -97.17 -27.5 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 74.2 109.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 112.77 33.5 2.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 65.14 110.96 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.79 112.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 74.04 110.024 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.613 HD13 ' HB2' ' A' ' 19' ' ' PHE . 95.8 mt -92.0 102.64 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 71.31 109.277 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 p -66.87 175.11 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 53.42 110.02 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -72.2 -28.89 63.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 70.04 109.969 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -26.13 60.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 70.31 109.987 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.688 ' O ' HG22 ' A' ' 34' ' ' THR . 34.5 mt-10 -90.71 -38.04 13.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 64.23 110.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.081 HD22 HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -65.28 -52.63 52.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 72.31 109.305 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.735 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -66.01 -12.13 52.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 61.23 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -69.65 -30.37 68.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 53.2 110.41 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.539 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -82.84 -64.58 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 70.42 109.269 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.801 ' HE2' HD13 ' A' ' 41' ' ' LEU . 74.2 mtp -40.43 -53.41 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 63.31 111.015 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -62.07 -34.34 76.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.085 . . . . 75.52 110.32 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -66.51 -26.99 67.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 61.13 109.999 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.047 HD13 HG23 ' A' ' 465' ' ' ILE . 17.2 mt -79.16 -19.74 50.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 63.21 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.14 2.46 8.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 63.14 111.014 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.801 HD13 ' HE2' ' A' ' 36' ' ' MET . 17.6 mt -81.38 -174.62 5.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 0.719 . . . . 74.43 109.278 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.454 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 52.9 p -163.84 61.36 0.95 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 62.44 110.027 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.55 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.98 136.46 20.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 62.32 111.006 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -76.29 140.33 41.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 71.13 110.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 19.6 tt0 -51.67 -27.92 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 62.43 110.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.69 -49.62 75.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 73.51 109.299 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.708 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.6 mt-10 -74.76 -51.29 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 74.41 110.293 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.081 HG13 HD22 ' A' ' 32' ' ' LEU . 54.5 t -40.28 -32.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 70.51 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 91.9 m-20 -72.4 -63.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 65.32 109.324 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' HB3' HD13 ' A' ' 475' ' ' LEU . 23.6 t0 -52.38 -21.03 3.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 72.44 109.284 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.024 HD21 ' HE3' ' A' ' 471' ' ' MET . 5.3 tt -80.3 -62.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 64.52 109.309 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.411 ' HB3' HD13 ' A' ' 32' ' ' LEU . 9.0 ptm -63.2 -14.24 46.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 45.52 111.01 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -93.99 -9.96 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 62.22 109.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.639 ' C ' HD13 ' A' ' 55' ' ' ILE . 14.7 mt-10 -81.88 -12.69 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 65.24 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.799 HG21 ' HB2' ' A' ' 71' ' ' LEU . 1.8 mm -116.36 -41.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 73.13 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 3.3 t0 -39.0 120.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 64.12 109.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.617 HG23 ' HG2' ' A' ' 67' ' ' GLU . 65.1 t -81.83 -17.25 11.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 123.608 1.67 . . . . 75.02 109.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.3 p-10 -116.11 -7.91 11.84 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.885 -1.055 . . . . 74.1 109.976 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.37 41.44 93.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 62.3 111.017 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.435 ' ND2' ' HB2' ' A' ' 62' ' ' GLN . 29.7 p-10 -89.08 16.13 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 71.42 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.652 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 43.4 t60 61.65 29.67 18.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 75.15 109.597 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 44.0 mt-30 -155.56 149.56 25.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 71.32 110.324 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.61 129.1 54.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 63.23 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.522 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -91.97 179.35 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 64.03 110.27 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.5 t80 -76.28 -12.44 60.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 64.13 110.978 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.6 t -94.97 -41.47 9.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 73.4 110.0 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.617 ' HG2' HG23 ' A' ' 57' ' ' VAL . 44.8 mt-10 -68.67 -50.47 50.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 71.42 110.322 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.495 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 88.6 t80 -56.95 -39.86 75.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 75.21 110.956 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.78 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -70.41 -34.04 72.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 75.13 109.322 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -75.85 -15.88 60.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 72.11 109.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.799 ' HB2' HG21 ' A' ' 55' ' ' ILE . 20.6 tp -74.02 -46.71 41.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 70.42 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.716 ' HG3' ' HZ3' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -57.42 -29.24 63.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 74.33 110.998 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 p -106.09 18.78 21.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 73.13 110.047 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 1.9 tmt_? -142.43 14.65 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 71.42 110.281 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.494 ' HG2' HD12 ' A' ' 71' ' ' LEU . 1.4 mm100 -108.69 -75.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 72.31 110.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.75 HD22 ' CA ' ' A' ' 80' ' ' ASP . 0.7 OUTLIER -53.73 179.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 51.21 109.31 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -147.65 -84.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 54.24 109.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.48 -87.76 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 75.32 109.953 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.46 57.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 65.31 109.299 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.75 ' CA ' HD22 ' A' ' 76' ' ' LEU . 1.2 m-20 -52.12 -69.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -38.62 -66.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 65.32 110.043 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -39.89 -54.01 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 64.1 110.285 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.593 HE21 HD21 ' A' ' 86' ' ' LEU . 2.9 tp60 -52.59 -61.29 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 54.35 110.264 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -63.34 -11.87 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 72.31 110.356 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.713 HD21 ' HA ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -80.27 -68.11 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 75.04 109.308 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.593 HD21 HE21 ' A' ' 83' ' ' GLN . 3.2 pp -46.67 -39.0 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 64.11 109.336 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 91' ' ' VAL . 6.6 mm-40 -67.27 -58.34 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 73.43 110.292 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.855 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -65.26 -12.1 48.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.54 109.251 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 85' ' ' LEU . 38.9 t80 -84.49 -55.85 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 51.44 110.983 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -75.31 -2.77 29.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 64.54 109.267 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 87' ' ' GLU . 12.6 t -94.05 -42.76 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.03 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.962 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.2 m-85 -77.2 -42.93 35.56 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 123.592 1.663 . . . . 60.52 111.003 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 0.3 OUTLIER -69.36 97.21 0.94 Allowed 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 117.901 -1.047 . . . . 72.02 110.003 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.37 -29.09 21.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 74.05 109.293 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.468 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -78.06 -44.8 25.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.31 109.321 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.87 77.13 1.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 72.24 111.011 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.64 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.15 9.6 2.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 72.04 109.282 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.871 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.03 18.19 74.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 73.24 111.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.871 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.4 mt -149.96 112.54 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 72.31 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 89' ' ' PHE . 54.7 mt -77.07 102.74 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 44.41 109.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 t -69.64 179.38 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 45.54 109.952 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.573 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -51.74 -66.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 55.4 109.278 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -41.31 -66.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.21 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 93' ' ' ASP . 29.2 mt-10 -39.28 -29.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 71.5 110.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.664 HD13 ' HE2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -88.3 -71.9 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 74.05 109.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.814 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -48.36 -61.19 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 73.42 109.267 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.691 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -41.8 -40.73 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 64.3 109.61 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.962 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -69.16 -44.07 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 63.14 109.322 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 106' ' ' LYS . 2.0 mm? -64.85 -23.08 67.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 63.13 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 m -86.54 -15.27 40.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 70.11 110.37 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.715 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -78.66 -10.24 59.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.14 110.007 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.041 HG21 HD11 ' A' ' 465' ' ' ILE . 4.3 pt -110.87 -26.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 74.34 109.262 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.99 -30.01 2.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 74.53 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' LEU . 18.3 mm-40 -65.5 115.19 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 71.01 110.258 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -111.94 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 72.3 109.342 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.893 HD23 ' HB3' ' A' ' 120' ' ' GLU . 4.4 mp -92.86 141.93 27.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 64.54 109.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLU . 82.6 p -70.8 151.14 45.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 71.22 110.395 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -48.15 -24.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 72.15 109.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.98 -41.24 23.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.21 109.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.893 ' HB3' HD23 ' A' ' 116' ' ' LEU . 35.2 mm-40 -62.84 -42.85 99.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 52.4 110.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.814 HG21 ' HG2' ' A' ' 106' ' ' LYS . 6.4 p -69.23 -52.38 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 72.22 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.537 ' HA ' HD12 ' A' ' 125' ' ' LEU . 11.2 t70 -55.57 -22.09 20.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 73.43 109.235 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.27 -36.8 13.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 62.24 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.492 ' HE3' ' HB2' ' A' ' 124' ' ' MET . 25.4 ttm -60.9 -33.45 73.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 64.22 110.976 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 122' ' ' ASP . 7.6 mt -65.63 -52.31 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 62.33 109.342 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 125' ' ' LEU . 40.9 mtt180 -37.16 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 72.44 110.324 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 125' ' ' LEU . 13.1 mm-40 -46.26 -50.6 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 61.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.645 ' HB ' ' HB3' ' A' ' 142' ' ' ALA . 23.1 m -129.91 13.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.04 109.339 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.0 p -103.1 2.93 35.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 50.34 109.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 129' ' ' SER . 38.9 t0 38.24 47.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 73.14 109.291 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.96 48.2 74.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 73.42 110.977 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 129' ' ' SER . 40.6 t -100.91 -77.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 75.42 109.949 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 154.85 -20.2 0.58 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.463 1.102 . . . . 71.14 110.985 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.421 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.2 mt-10 -143.09 165.06 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 73.1 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 9.4 pt -130.3 126.46 61.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 52.12 109.291 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.523 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.52 -177.69 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.0 109.248 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.644 HD12 HD12 ' A' ' 85' ' ' LEU . 5.2 tp -54.82 -18.6 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 60.35 109.322 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -87.3 -57.56 2.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 63.11 110.292 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 142' ' ' ALA . 24.7 mt-30 -65.45 -54.6 26.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 45.14 110.269 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.518 ' HZ ' ' HB1' ' A' ' 88' ' ' ALA . 26.0 t80 -47.99 -34.07 8.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 75.12 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.713 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -76.79 -28.97 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 44.11 109.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.645 ' HB3' ' HB ' ' A' ' 128' ' ' VAL . . . -60.83 -15.17 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 73.12 109.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.51 HD23 HH12 ' A' ' 459' ' ' ARG . 1.2 mt -79.72 -65.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 53.43 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.711 HD12 HD22 ' A' ' 85' ' ' LEU . 4.8 mt -50.82 -21.76 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 64.21 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.6 t -116.6 38.44 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 74.33 109.992 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -84.92 -80.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 71.43 109.26 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 50.31 21.25 4.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 74.23 111.016 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 85.7 p -90.7 -82.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 73.24 110.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.43 60.81 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 45.13 109.983 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.549 HG22 ' HB2' ' A' ' 455' ' ' ARG . 30.5 p -112.18 -66.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 74.04 110.392 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.456 ' N ' ' OG1' ' A' ' 150' ' ' THR . . . 68.41 44.79 72.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 34.34 111.022 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 453' ' ' THR . 2.1 m 64.12 45.91 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 61.21 110.405 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 12.4 mmm-85 -144.32 -56.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 71.31 110.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.549 ' HB2' HG22 ' A' ' 150' ' ' THR . 27.4 mmt180 -72.05 -35.2 69.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 74.04 110.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.428 ' CD ' ' HA ' ' A' ' 453' ' ' THR . 0.0 OUTLIER -50.7 -24.89 3.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 53.31 109.368 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . 0.476 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -91.95 -26.84 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 73.53 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 455' ' ' ARG . 0.9 OUTLIER -67.19 -43.57 81.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 73.42 109.294 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.51 HH12 HD23 ' A' ' 143' ' ' LEU . 5.6 ptp180 -80.65 -24.96 38.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 72.35 110.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.906 ' HA ' HD22 ' A' ' 463' ' ' LEU . 15.7 t30 -59.43 -29.74 67.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 73.51 109.328 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.932 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.21 -26.9 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 72.51 109.279 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.691 HG23 ' HE1' ' A' ' 92' ' ' PHE . 14.8 mt -87.14 -32.08 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 44.41 109.285 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.906 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.6 OUTLIER -51.79 -44.33 63.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 72.31 109.293 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.735 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -75.01 -59.6 2.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.33 109.282 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.047 HG23 HD13 ' A' ' 39' ' ' LEU . 13.1 mt -41.17 -30.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 63.13 109.321 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.855 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.93 -67.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 70.41 109.266 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.716 ' HZ3' ' HG3' ' A' ' 72' ' ' MET . 29.4 mtpt -48.12 -62.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 74.1 109.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.829 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 51.9 t -47.14 -44.75 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 60.45 109.29 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 24.7 t -67.24 -27.66 67.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 71.33 110.001 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.2 OUTLIER -81.65 -25.1 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 62.42 110.316 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 1.024 ' HE3' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -61.95 -26.21 68.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 74.14 111.01 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.638 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 31.8 t80 -75.43 -21.76 57.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 73.12 111.008 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -89.02 -11.11 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.14 110.012 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 48.8 t -101.45 -49.27 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 61.35 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.973 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -38.37 -37.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.15 109.309 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 73.12 110.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.988 -0.845 . . . . 61.54 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.0 m -105.75 140.99 37.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 42.23 109.991 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -56.07 111.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 63.44 109.989 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -89.67 14.59 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 71.42 109.339 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 4' ' ' LEU . 5.1 mt -87.26 174.42 8.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 63.34 109.31 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 p -125.0 167.75 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 71.22 110.392 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.32 -25.62 59.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 75.14 110.273 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -79.77 -21.91 43.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 72.42 110.344 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.415 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 11.5 mm100 -81.97 -29.22 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 65.12 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.924 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 3.4 mm -65.74 -30.9 51.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.52 -12.38 61.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 44.42 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 12.2 mm-40 -75.71 -68.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 53.53 110.293 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.478 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 45.6 m-85 -47.21 -23.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 75.04 111.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 1.1 mttt -52.44 -42.0 63.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 71.54 109.319 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.65 -59.63 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 52.4 110.303 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.004 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -51.97 -23.61 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 51.4 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 1.7 t80 -74.51 -39.62 62.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 73.34 110.97 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.67 -18.04 51.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 75.53 109.33 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.605 HD21 ' HG2' ' A' ' 461' ' ' LYS . 40.3 mt -56.33 -43.76 79.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 64.3 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.723 ' CZ ' HG21 ' A' ' 468' ' ' VAL . 17.9 m-85 -104.79 -47.59 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 62.25 110.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.601 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -60.08 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 50.33 109.267 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' PHE . 41.7 mmtt -61.08 -67.26 0.42 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.629 1.681 . . . . 75.51 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.87 -13.7 60.27 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.896 -1.049 . . . . 73.03 109.992 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 59.24 58.73 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 64.35 109.285 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.5 p30 -91.92 -22.89 19.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 65.5 109.321 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.21 32.74 2.93 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 35.3 110.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 p -168.76 112.08 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.757 . . . . 73.45 109.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 43.7 mt -92.27 101.56 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 74.24 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -67.81 163.25 22.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 60.21 110.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.62 ' O ' HG11 ' A' ' 48' ' ' VAL . 1.5 t -59.1 -18.07 32.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 73.34 109.958 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.34 -20.85 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 60.32 109.989 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.735 ' O ' HG22 ' A' ' 34' ' ' THR . 44.1 mt-10 -90.56 -35.98 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 75.14 110.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.041 HD22 HG13 ' A' ' 48' ' ' VAL . 2.9 tt -68.51 -46.79 68.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 70.53 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.603 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -69.87 -12.43 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 62.03 109.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -69.68 -24.49 63.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 62.43 110.382 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.523 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.0 t -91.36 -59.46 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 64.13 109.267 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.53 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 85.3 mtp -42.79 -57.37 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 64.15 111.015 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -57.37 -26.76 61.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 75.02 110.326 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' VAL . 1.4 t -76.35 -29.19 57.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 74.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.051 HD13 HG23 ' A' ' 465' ' ' ILE . 15.0 mt -76.97 -20.73 55.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 70.03 109.31 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.09 2.71 8.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 53.54 111.009 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.9 mt -80.43 -177.16 6.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 52.33 109.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 92.0 p -162.57 60.39 1.03 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 63.33 110.018 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.99 154.82 42.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 72.33 111.0 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -94.97 139.89 30.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 71.25 110.025 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.5 tt0 -46.3 -27.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 75.13 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.94 -47.54 74.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 70.24 109.309 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.595 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.0 OUTLIER -75.1 -51.86 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 73.23 110.319 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.041 HG13 HD22 ' A' ' 32' ' ' LEU . 52.5 t -39.96 -30.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 54.05 109.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' ASN . 89.7 m-20 -77.88 -63.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 71.35 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -48.07 -23.15 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 73.33 109.277 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.797 HD21 ' HB3' ' A' ' 471' ' ' MET . 1.4 tm? -76.38 -59.42 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 71.32 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.588 ' HB2' HD11 ' A' ' 63' ' ' ILE . 9.4 ptm -74.33 -4.11 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 61.33 111.022 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.6 m-80 -90.15 -8.15 51.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 62.31 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.614 ' C ' HD13 ' A' ' 55' ' ' ILE . 2.6 mt-10 -95.65 -6.02 41.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 71.31 110.33 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.628 HD12 ' CD1' ' A' ' 71' ' ' LEU . 2.0 mm -117.65 -41.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 72.21 109.314 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 2.9 t0 -39.21 119.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 71.12 109.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 64.6 t -91.7 -13.22 8.95 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 CA-C-O 123.632 1.682 . . . . 72.3 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.1 p30 -117.46 -6.89 11.19 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.909 -1.043 . . . . 73.42 110.009 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.27 42.46 88.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 64.34 111.004 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.418 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 35.0 p-10 -93.84 12.97 24.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 71.13 109.309 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.658 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 31.3 t60 64.79 28.25 12.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 74.41 109.576 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.435 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 41.8 mt-30 -152.13 174.69 13.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 64.43 110.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.588 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -122.8 128.83 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 73.31 109.327 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -93.46 172.99 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 63.14 110.288 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.924 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.3 t80 -74.05 -12.37 60.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 71.45 110.98 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.4 t -90.6 -45.63 8.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 71.21 109.993 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 11.6 mt-10 -69.36 -52.16 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 74.12 110.278 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -52.83 -44.38 66.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.44 111.011 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.792 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.79 -34.29 75.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 74.42 109.255 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.37 62.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 71.21 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.96 HD21 ' SD ' ' A' ' 471' ' ' MET . 6.0 tp -62.7 -52.97 61.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 65.13 109.316 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -59.81 -13.34 10.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 74.55 110.975 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.3 t -126.46 29.42 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 65.03 110.003 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -135.59 -63.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.12 110.318 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -75.14 61.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 72.42 110.263 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.508 ' HB2' ' CB ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -158.0 135.21 10.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 72.54 109.288 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -130.57 -86.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 72.31 109.279 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.5 m -114.03 -74.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 72.3 110.003 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -80.78 53.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 62.4 109.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.508 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -85.8 -80.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 72.44 109.311 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' ASP . 8.4 t -37.74 -55.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 71.31 109.995 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -40.99 -44.87 2.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 73.3 110.272 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.545 HE21 HD21 ' A' ' 86' ' ' LEU . 2.8 tp60 -56.7 -64.06 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 65.31 110.305 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.567 ' HB2' ' HB1' ' A' ' 466' ' ' ALA . 7.1 pt-20 -61.69 -13.25 21.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 54.51 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -78.33 -61.53 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 43.42 109.242 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.545 HD21 HE21 ' A' ' 83' ' ' GLN . 2.3 pp -58.58 -35.8 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 60.22 109.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.562 ' HA ' ' HZ2' ' A' ' 90' ' ' LYS . 5.5 mm-40 -70.23 -56.58 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 65.12 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -63.0 -15.46 56.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 73.35 109.255 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 26.5 t80 -81.99 -42.61 19.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 52.43 110.96 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.562 ' HZ2' ' HA ' ' A' ' 87' ' ' GLU . 13.6 pttp -82.35 -23.24 35.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 74.34 109.309 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -74.19 -44.08 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.43 109.301 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.861 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 1.7 m-85 -67.93 -38.64 83.12 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.609 1.671 . . . . 74.41 110.977 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.3 OUTLIER -72.76 103.83 3.78 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.896 -1.049 . . . . 62.32 109.972 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 -34.64 19.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 71.34 109.318 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.25 -45.98 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.34 109.269 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.24 78.64 1.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 72.24 111.007 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.607 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.58 11.53 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 75.2 109.265 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.878 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.44 18.41 75.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.123 . . . . 54.41 111.007 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.5 mt -150.02 110.84 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 65.33 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.59 HD13 ' CB ' ' A' ' 92' ' ' PHE . 53.5 mt -74.95 102.98 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 61.34 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.0 t -68.07 175.99 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 64.35 109.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.64 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -48.45 -69.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 74.11 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 105' ' ' LEU . . . -42.57 -64.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 52.43 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.41 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 35.8 mt-10 -39.3 -28.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 73.34 110.302 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.683 HD13 HD11 ' A' ' 135' ' ' ILE . 3.3 tp -91.27 -72.4 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 71.04 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.881 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.9 -61.01 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 70.42 109.303 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.567 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.67 -42.94 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 63.15 109.546 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.861 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.2 t -65.85 -42.2 91.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 54.14 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.536 HD22 HG12 ' A' ' 108' ' ' VAL . 3.3 mm? -69.65 -20.79 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 55.33 109.318 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' LYS . 86.5 m -84.24 -12.7 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 73.3 110.385 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.781 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -82.11 -6.92 59.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 74.14 109.957 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.081 HG21 HD11 ' A' ' 465' ' ' ILE . 10.3 pt -112.18 -32.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 71.23 109.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.47 -31.44 0.94 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 70.33 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' HG3' ' CD ' ' A' ' 461' ' ' LYS . 5.1 mm-40 -63.67 104.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 73.23 110.31 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -102.64 91.9 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.13 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 120' ' ' GLU . 60.8 mt -104.57 141.8 35.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 72.2 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.5 p -76.13 -174.61 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 61.42 110.387 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -76.98 -18.2 58.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 63.24 109.311 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.72 -37.12 14.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 64.41 109.324 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.772 ' HB3' HD22 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -71.24 -31.37 67.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 73.12 110.285 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.881 HG21 ' HG2' ' A' ' 106' ' ' LYS . 9.0 p -83.87 -52.02 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 72.32 109.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.615 ' HA ' HD12 ' A' ' 125' ' ' LEU . 6.8 t70 -52.42 -20.87 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 74.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -90.62 -28.67 18.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 72.14 109.309 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.54 ' SD ' HD21 ' A' ' 105' ' ' LEU . 21.5 ttm -73.87 -32.53 63.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 73.22 110.985 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 122' ' ' ASP . 8.6 mt -65.02 -53.83 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 74.55 109.306 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' LEU . 19.7 mtt-85 -37.42 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 61.11 110.323 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 125' ' ' LEU . 74.4 mt-10 -46.36 -50.43 16.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.02 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.468 HG11 ' CB ' ' A' ' 142' ' ' ALA . 24.7 m -132.14 13.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 61.52 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.2 p -98.76 7.99 45.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 55.21 110.043 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 32.9 t70 39.57 42.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 72.41 109.313 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.29 46.6 92.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 34.21 111.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' SER . 31.8 t -104.27 -76.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 74.45 109.96 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.421 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 149.85 -16.92 1.08 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 75.1 111.001 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.448 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 22.6 mt-10 -136.66 160.11 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 63.41 110.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.683 HD11 HD13 ' A' ' 105' ' ' LEU . 2.2 pt -127.62 124.27 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 73.03 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.641 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -90.73 -179.13 5.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 74.22 109.334 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.92 HG23 ' OE1' ' A' ' 138' ' ' GLN . 3.0 tp -54.35 -19.06 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 71.25 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.92 ' OE1' HG23 ' A' ' 137' ' ' ILE . 13.9 mm100 -87.98 -52.1 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 75.42 110.267 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.689 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 23.1 mt-30 -69.36 -57.45 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 74.45 110.302 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.413 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 38.4 t80 -41.27 -53.67 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 75.2 111.022 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 1.019 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -51.14 -37.4 45.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.41 109.33 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -45.55 -43.62 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 64.02 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.3 mt -62.71 -44.11 97.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 74.11 109.362 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.876 HD12 HD22 ' A' ' 85' ' ' LEU . 7.5 mt -86.71 11.3 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 75.25 109.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 141' ' ' ALA . 17.1 m -127.0 -85.06 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 62.25 109.977 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 142' ' ' ALA . 9.9 tptm -99.22 -77.14 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 64.22 109.257 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 146' ' ' LYS . . . 100.66 -124.64 8.31 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.117 . . . . 51.15 111.026 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.1 m -166.93 101.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 71.2 109.997 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.1 t 65.23 57.67 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 54.41 109.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 11.7 p -103.85 93.78 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 62.33 110.399 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.69 -88.22 1.62 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 60.15 111.02 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 7.0 m -131.58 5.78 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 60.43 110.421 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -122.05 -52.41 1.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 65.42 110.278 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.482 ' CZ ' ' OE1' ' A' ' 127' ' ' GLU . 1.1 mmt85 -74.6 -18.5 60.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 72.14 110.335 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -12.79 59.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.3 109.316 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -84.45 -16.57 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 71.43 109.337 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -53.73 26.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 53.31 109.314 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -59.53 -34.63 72.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 70.45 110.276 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.596 ' HA ' HD12 ' A' ' 463' ' ' LEU . 11.8 t30 -57.65 -46.25 84.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 53.1 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.653 ' O ' HD12 ' A' ' 465' ' ' ILE . 3.1 ttmt -48.24 -32.43 7.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 72.13 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.645 HG23 ' HE1' ' A' ' 92' ' ' PHE . 17.9 mt -86.46 -33.26 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 74.22 109.284 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 460' ' ' ASN . 74.8 mt -48.99 -44.86 41.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 62.52 109.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 1.004 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -73.48 -58.01 3.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 61.33 109.307 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.081 HD11 HG21 ' A' ' 112' ' ' ILE . 13.4 mt -43.15 -30.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 74.02 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.84 -72.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 63.43 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.468 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 15.1 mmtt -36.6 -68.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 73.13 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.723 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 21.1 t -40.0 -44.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 63.01 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 466' ' ' ALA . 8.7 t -66.47 -68.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 74.14 109.991 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.471 ' HD3' ' CG2' ' A' ' 474' ' ' VAL . 0.2 OUTLIER -36.22 -47.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 72.1 110.309 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.96 ' SD ' HD21 ' A' ' 71' ' ' LEU . 27.6 mtp -47.59 -48.07 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 73.21 111.014 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 43' ' ' PRO . 14.3 t80 -55.54 -28.79 56.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 73.12 111.041 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.3 t -79.84 -19.94 47.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 73.54 110.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.471 ' CG2' ' HD3' ' A' ' 470' ' ' ARG . 59.0 t -87.5 -54.09 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 72.31 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -39.57 -31.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 70.34 109.252 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 73.21 110.293 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.982 -0.847 . . . . 50.11 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m -138.6 114.13 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 65.44 110.024 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -66.59 89.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 73.03 109.976 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -91.31 16.28 10.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 74.5 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' N ' HD23 ' A' ' 4' ' ' LEU . 4.7 mt -72.55 156.31 39.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 73.31 109.311 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.7 p -111.97 159.84 18.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 75.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -42.01 -38.58 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 54.15 110.268 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.19 -44.86 82.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 73.15 110.291 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 5' ' ' THR . 18.1 mm100 -57.81 -29.12 64.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 73.33 110.304 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.776 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 1.1 mm -73.65 -22.96 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.04 109.291 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.3 -13.02 59.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 50.34 109.258 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 12.4 mm-40 -75.5 -69.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 74.2 110.303 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 69' ' ' LEU . 49.4 m-85 -43.77 -26.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.3 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -51.96 -47.04 64.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 65.42 109.286 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.546 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 7.8 mm-40 -65.52 -49.12 70.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 64.22 110.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -60.06 -17.15 37.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 75.31 109.306 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 1.8 t80 -79.36 -40.5 30.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 73.44 111.01 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.98 68.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 70.32 109.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.902 HD21 ' HG2' ' A' ' 461' ' ' LYS . 63.2 mt -40.11 -41.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 61.33 109.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.759 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 6.3 m-85 -110.7 -53.05 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 63.23 111.045 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -53.31 90.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 73.1 109.316 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' PHE . 33.3 mmtt -68.3 -67.05 0.49 Allowed 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 123.615 1.674 . . . . 74.34 109.273 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -74.36 -5.99 45.55 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.88 -1.057 . . . . 63.22 109.977 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 50.46 55.88 8.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 74.32 109.332 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.7 p30 -88.11 -22.13 24.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 64.41 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.82 32.6 3.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 61.33 111.019 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.6 p -168.83 112.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 72.45 110.022 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 19' ' ' PHE . 74.4 mt -91.12 101.83 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 74.12 109.323 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 p -64.02 165.14 9.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 74.03 110.014 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -16.17 62.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 71.12 109.95 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.79 -25.05 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 54.41 110.023 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -90.63 -31.45 16.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 63.22 110.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.976 HD22 HG13 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -72.01 -45.81 59.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 64.2 109.281 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.687 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -74.13 -12.64 60.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 60.54 109.35 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -23.31 62.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 71.2 110.39 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.533 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -91.49 -56.54 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 65.1 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.59 ' HE2' HD13 ' A' ' 41' ' ' LEU . 60.1 mtp -42.11 -50.08 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 74.1 111.008 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -65.17 -34.65 78.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 71.35 110.282 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' VAL . 7.2 p -60.98 -17.53 52.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 73.54 110.015 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.893 HD13 HG23 ' A' ' 465' ' ' ILE . 17.1 mt -91.98 -15.96 27.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 73.33 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.84 7.3 8.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.153 . . . . 55.34 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.59 HD13 ' HE2' ' A' ' 36' ' ' MET . 8.3 mt -86.95 -177.54 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 65.34 109.286 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -163.94 60.87 0.89 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 72.01 109.99 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.1 Cg_endo -75.01 139.39 24.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 74.5 110.997 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.35 140.09 38.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 53.24 109.995 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -53.11 -27.52 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 70.21 110.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.81 76.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 64.04 109.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.587 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.3 mt-10 -75.32 -50.03 17.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 71.25 110.334 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.976 HG13 HD22 ' A' ' 32' ' ' LEU . 39.1 t -39.81 -42.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 74.35 109.255 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.432 ' C ' ' N ' ' A' ' 51' ' ' LEU . 90.5 m-20 -68.21 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 51.55 109.274 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.763 ' OD1' HD13 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -47.57 -23.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 63.21 109.308 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 471' ' ' MET . 0.0 OUTLIER -77.97 -68.16 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 61.44 109.293 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.535 ' HB2' HD11 ' A' ' 63' ' ' ILE . 9.1 ptm -60.39 -12.3 9.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 65.24 110.979 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 1.1 m-80 -77.66 -7.63 56.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 73.52 109.277 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -96.18 -15.59 21.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 64.45 110.262 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.64 HD12 HD12 ' A' ' 71' ' ' LEU . 3.4 mm -106.2 -46.18 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 72.52 109.317 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 7.0 t0 -38.14 117.61 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 32.03 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -89.73 -19.17 7.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 123.577 1.656 . . . . 75.04 109.266 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 41.2 p-10 -108.25 -5.91 16.61 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.913 -1.041 . . . . 75.41 109.951 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.484 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 52.28 42.93 56.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 65.12 111.025 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 35.3 p-10 -95.05 12.27 29.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 72.43 109.313 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.651 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 37.1 t60 65.85 30.48 9.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 72.2 109.605 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 53.2 mt-30 -153.77 -179.93 8.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 62.32 110.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.535 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -128.57 129.49 68.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 73.24 109.294 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 5.1 mt-10 -94.69 175.42 6.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 74.32 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.776 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 2.2 t80 -73.63 -12.88 60.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 64.21 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.0 m -92.37 -46.81 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 72.44 109.982 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.2 -47.59 76.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 73.51 110.301 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -57.98 -40.52 80.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 75.42 110.998 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.74 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -74.05 -30.16 62.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 62.22 109.309 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.72 -15.65 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 74.24 109.337 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.64 HD12 HD12 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -70.42 -49.57 47.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 73.32 109.292 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 1.015 ' O ' HD23 ' A' ' 76' ' ' LEU . 6.5 mmt -59.43 -31.6 69.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 75.34 111.035 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.5 p -91.15 17.39 8.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 52.04 109.961 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.45 -41.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 73.5 110.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.448 ' O ' ' NZ ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -102.28 71.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 62.05 110.342 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.015 HD23 ' O ' ' A' ' 72' ' ' MET . 0.2 OUTLIER -177.15 121.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 71.52 109.295 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -153.93 -84.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 75.22 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.9 t -82.95 -67.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 72.11 110.018 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.82 33.78 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 73.33 109.34 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.51 ' CB ' ' HB2' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -48.37 -93.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 63.33 109.278 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.478 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 8.6 t -46.86 -53.75 11.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 71.14 110.001 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -38.5 -45.0 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 62.41 110.285 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 4.4 mm-40 -61.15 -62.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 74.45 110.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.551 ' HA ' ' HB1' ' A' ' 466' ' ' ALA . 11.1 pt-20 -62.73 -11.47 17.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.42 110.314 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.036 HD22 HD12 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -83.4 -55.81 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 65.35 109.313 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 87' ' ' GLU . 2.8 pp -65.94 -46.1 79.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 75.42 109.307 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.528 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 22.2 mm-40 -57.58 -35.13 69.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 74.33 110.345 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.898 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -85.34 -25.74 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 74.33 109.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HA ' HD11 ' A' ' 100' ' ' ILE . 14.0 t80 -64.14 -62.7 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 72.22 110.978 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -62.97 -37.33 86.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 72.21 109.34 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 2.1 t -54.17 -59.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 62.34 109.336 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.937 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.8 m-85 -59.76 -44.54 93.8 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 123.613 1.673 . . . . 71.31 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -69.86 99.73 1.43 Allowed 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.893 -1.051 . . . . 72.31 110.001 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -31.16 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 74.4 109.322 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -77.39 -44.74 28.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 72.51 109.286 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.61 78.86 1.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 73.11 111.014 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.668 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.0 11.36 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 64.13 109.31 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.728 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.09 15.47 72.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.087 . . . . 14.4 110.973 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.1 mt -147.59 111.5 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 73.21 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.618 HD13 ' CB ' ' A' ' 92' ' ' PHE . 64.9 mt -76.13 102.07 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 53.35 109.257 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.0 t -65.98 175.2 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 73.11 109.966 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -49.7 -67.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 54.54 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -42.21 -65.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 74.02 109.277 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ALA . 35.3 mt-10 -38.91 -28.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 72.15 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.897 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -90.94 -72.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 70.42 109.31 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.605 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.35 -58.72 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 74.24 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.651 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.97 -39.07 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.33 109.58 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.937 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -69.87 -56.25 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 71.42 109.326 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.467 HD12 ' CB ' ' A' ' 114' ' ' GLU . 3.6 mm? -49.32 -32.75 11.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 74.03 109.333 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.2 m -78.4 -27.75 46.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 73.24 110.416 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.724 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -64.95 -11.51 39.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 73.33 109.959 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.058 HG21 HD11 ' A' ' 465' ' ' ILE . 17.0 pt -112.65 -33.29 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 74.4 109.265 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 115' ' ' LYS . . . 153.68 -35.6 0.74 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 35.01 111.011 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.467 ' CB ' HD12 ' A' ' 109' ' ' LEU . 4.5 mm-40 -59.05 108.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 71.21 110.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 113' ' ' GLY . 16.6 mttt -109.82 91.1 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 73.23 109.294 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' ' 120' ' ' GLU . 4.8 mp -98.78 142.64 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 63.25 109.312 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.5 p -72.44 153.32 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 71.41 110.395 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -51.33 -22.7 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 54.14 109.328 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.21 -40.56 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 74.25 109.283 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.672 ' HB3' HD23 ' A' ' 116' ' ' LEU . 21.9 mm-40 -63.96 -47.02 82.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 73.14 110.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.605 HG21 ' HG2' ' A' ' 106' ' ' LYS . 2.3 p -65.67 -50.06 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 61.01 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.517 ' HA ' HD12 ' A' ' 125' ' ' LEU . 7.8 t70 -48.92 -23.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 71.44 109.239 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.06 -34.32 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 62.24 109.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' VAL . 6.0 tpp -61.21 -39.1 88.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 75.23 111.001 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 122' ' ' ASP . 2.5 mt -63.57 -57.35 10.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 73.12 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 125' ' ' LEU . 24.3 mtt-85 -37.36 -30.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 74.33 110.272 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 125' ' ' LEU . 97.1 mt-10 -46.49 -50.87 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 71.14 110.301 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 22.1 m -132.37 14.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 75.33 109.274 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.2 p -99.96 8.77 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.23 110.033 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 129' ' ' SER . 26.2 t0 38.91 46.58 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 62.44 109.293 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.1 46.95 68.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 74.1 111.034 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' SER . 30.1 t -104.65 -77.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 73.1 109.965 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 151.58 -18.33 0.88 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 73.4 111.02 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 21.8 mt-10 -135.25 157.97 45.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 75.42 110.362 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.897 HD11 ' CD1' ' A' ' 105' ' ' LEU . 5.5 pt -127.24 127.37 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 72.42 109.309 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.629 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -93.91 177.72 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 70.24 109.317 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.449 ' CD1' HD12 ' A' ' 85' ' ' LEU . 10.7 tp -49.61 -22.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 74.23 109.341 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 136' ' ' ASN . 4.4 mm-40 -83.78 -55.75 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 53.42 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.716 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 19.9 mt-30 -68.28 -57.09 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 73.13 110.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.451 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 44.5 t80 -41.43 -52.72 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 74.3 110.998 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.985 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -56.19 -36.22 68.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 74.35 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -45.48 -34.48 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 63.23 109.287 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.412 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.1 mt -68.92 -46.63 67.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 54.34 109.314 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.036 HD12 HD22 ' A' ' 85' ' ' LEU . 2.9 mt -69.74 -8.04 44.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 72.02 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t -131.26 43.65 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 72.22 110.002 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.52 83.4 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 65.44 109.26 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -118.04 77.98 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.563 1.165 . . . . 61.02 111.032 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.9 m -148.12 -47.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 71.3 110.022 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.409 ' O ' ' OG ' ' A' ' 149' ' ' SER . 6.1 p -116.2 54.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 52.32 110.029 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.734 HG22 ' HB2' ' A' ' 455' ' ' ARG . 23.9 p -109.0 -69.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 71.12 110.37 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.503 ' N ' ' OG1' ' A' ' 150' ' ' THR . . . 66.27 32.34 81.81 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.533 1.146 . . . . 61.24 111.007 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 151' ' ' GLY . 1.5 m 83.01 32.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 0.795 . . . . 75.33 110.399 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.33 -49.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 74.32 110.285 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.734 ' HB2' HG22 ' A' ' 150' ' ' THR . 26.8 mmt-85 -88.72 -15.16 35.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 75.43 110.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.402 ' NZ ' ' CB ' ' A' ' 456' ' ' LYS . 0.0 OUTLIER -83.91 -21.31 31.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 73.31 109.275 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . 0.546 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -91.91 -16.1 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 61.01 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -53.18 7.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 75.13 109.34 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 460' ' ' ASN . 4.0 ptp180 -61.23 -38.22 85.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 73.01 110.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.617 ' HA ' HD12 ' A' ' 463' ' ' LEU . 10.0 t30 -58.39 -34.01 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 64.55 109.291 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.902 ' HG2' HD21 ' A' ' 18' ' ' LEU . 6.7 ttmt -56.82 -28.43 61.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 71.03 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.704 HG23 ' HE1' ' A' ' 92' ' ' PHE . 23.1 mt -89.79 -41.93 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 71.45 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 460' ' ' ASN . 92.7 mt -40.55 -38.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 74.2 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.496 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -76.6 -58.1 3.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 63.11 109.342 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.058 HD11 HG21 ' A' ' 112' ' ' ILE . 9.0 mt -41.2 -29.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 72.31 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.898 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -81.33 -72.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 70.45 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.526 ' HB2' ' HE1' ' A' ' 72' ' ' MET . 3.9 mttm -49.44 -61.34 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.21 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.759 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 75.8 t -38.87 -37.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 73.15 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.75 -54.29 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 75.54 109.981 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.1 OUTLIER -51.21 -39.94 57.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 73.54 110.296 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.805 ' HB3' HD11 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -45.56 -33.94 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 74.25 111.022 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 28.9 t80 -87.16 -24.24 24.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 74.44 111.005 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 470' ' ' ARG . 43.8 t -88.31 -5.31 58.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 53.13 110.007 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 475' ' ' LEU . 14.8 p -107.1 -46.61 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 50.02 109.28 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.763 HD13 ' OD1' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -40.03 -35.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 61.24 109.31 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 72.12 110.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.968 -0.853 . . . . 32.51 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 m -112.59 125.09 53.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.74 . . . . 71.4 109.966 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -156.1 151.14 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 60.43 110.021 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.79 22.76 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 73.53 109.304 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.877 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 6.5 mt -83.8 163.48 20.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 43.15 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 8.0 p -119.83 161.87 20.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 73.13 110.413 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -44.21 -38.87 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.31 110.338 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.71 -38.29 88.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 72.31 110.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.521 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 20.9 mm100 -68.29 -31.65 71.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 61.21 110.31 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.625 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 3.8 mm -64.97 -22.84 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 53.41 109.32 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.07 -12.71 49.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 63.54 109.318 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 77.0 mt-10 -76.48 -57.72 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.15 110.278 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.877 ' CZ ' HD13 ' A' ' 4' ' ' LEU . 26.2 m-85 -58.92 -14.63 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.51 110.971 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.467 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 12.5 mtmt -61.98 -28.56 69.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 74.02 109.338 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -79.92 -52.18 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 62.55 110.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.842 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -56.82 -17.69 10.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 73.42 109.26 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.3 t80 -78.73 -40.08 34.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 72.21 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -19.41 59.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 74.13 109.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.649 ' CD2' HD12 ' A' ' 112' ' ' ILE . 54.4 mt -50.69 -40.83 54.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.44 109.299 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 4.5 m-85 -110.05 -34.76 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 74.23 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -69.69 84.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.5 109.284 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.669 ' HE3' HG21 ' A' ' 34' ' ' THR . 24.4 mmtt -62.06 -66.86 0.47 Allowed 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 123.656 1.693 . . . . 75.42 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.455 ' OD1' ' CB ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.65 -8.93 58.03 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.854 -1.07 . . . . 62.23 109.963 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 54.0 57.78 5.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 71.31 109.304 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.455 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . 10.8 p30 -91.92 -20.01 21.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 74.35 109.277 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.41 34.69 3.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 63.45 110.98 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 p -168.71 112.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 0.755 . . . . 63.43 110.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.535 HD13 ' HB2' ' A' ' 19' ' ' PHE . 59.7 mt -94.39 100.41 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 61.41 109.256 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 p -65.58 162.31 18.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 34.44 110.0 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 t -57.45 -17.07 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.22 110.022 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.2 -22.66 21.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 72.22 109.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -90.39 -30.0 17.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.43 110.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.964 HD22 HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -75.08 -49.27 20.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 74.12 109.319 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.717 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -70.69 -12.37 61.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 71.15 109.29 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.669 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -68.39 -24.08 64.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 52.44 110.369 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.1 t -91.45 -61.79 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 71.04 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.526 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 98.9 mtp -39.03 -57.65 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 75.13 111.041 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -51.97 -41.44 62.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 64.15 110.33 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' VAL . 6.2 p -55.56 -36.56 66.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 74.12 109.979 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.927 HD13 HG23 ' A' ' 465' ' ' ILE . 17.8 mt -68.55 -21.3 64.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 62.35 109.296 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.02 2.13 8.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 64.15 110.977 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -79.01 -177.16 5.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 72.24 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.488 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 27.9 t -162.32 60.15 1.04 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 21.23 109.976 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.05 140.81 25.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 53.34 111.005 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -81.57 140.22 34.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 72.12 109.996 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -52.75 -27.26 17.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 62.43 110.297 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.67 -49.41 75.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 64.2 109.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 49' ' ' ASN . 1.9 mt-10 -74.94 -51.62 13.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 74.23 110.277 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.964 HG13 HD22 ' A' ' 32' ' ' LEU . 54.6 t -40.18 -29.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 73.44 109.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 47' ' ' GLU . 83.4 m-20 -76.1 -67.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 52.43 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -46.62 -24.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 75.44 109.321 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.886 ' HB2' HD22 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -76.37 -68.58 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 71.2 109.287 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.466 ' HB2' HD11 ' A' ' 63' ' ' ILE . 8.5 ptm -61.24 -11.8 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 60.4 110.962 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -78.38 -7.83 57.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 71.1 109.314 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.604 ' C ' HD13 ' A' ' 55' ' ' ILE . 12.8 mm-40 -95.45 -11.89 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 60.44 110.316 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.719 HG21 ' HB2' ' A' ' 71' ' ' LEU . 1.3 mm -107.97 -49.48 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 64.31 109.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 6.5 t0 -39.18 119.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 75.42 109.272 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.606 HG23 ' HG2' ' A' ' 67' ' ' GLU . 73.2 t -86.38 -27.88 6.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 123.592 1.663 . . . . 55.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.9 p-10 -100.77 -6.67 24.6 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.892 -1.052 . . . . 70.34 109.998 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.499 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.9 42.28 79.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 54.51 111.027 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.405 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 32.9 p-10 -92.68 11.66 25.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 74.11 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.661 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 38.2 t60 66.03 33.28 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 73.53 109.586 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 51.3 mt-30 -156.07 165.06 37.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 71.31 110.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.466 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -114.69 128.77 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 60.44 109.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -95.93 175.93 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 71.53 110.278 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.625 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 2.3 t80 -71.28 -13.14 61.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 71.3 110.99 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -91.8 -43.36 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 73.31 109.979 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.606 ' HG2' HG23 ' A' ' 57' ' ' VAL . 26.7 mt-10 -69.05 -52.35 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 60.31 110.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -52.5 -44.32 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 72.55 111.006 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.793 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -69.91 -34.45 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 74.14 109.33 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.84 -15.64 60.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 73.41 109.326 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.719 ' HB2' HG21 ' A' ' 55' ' ' ILE . 36.6 tp -75.28 -46.29 34.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 72.55 109.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.424 ' CE ' ' HD3' ' A' ' 467' ' ' LYS . 2.4 mmt -48.08 -36.96 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 63.22 110.998 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.3 p -76.09 -28.06 57.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 73.42 109.955 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -119.09 65.42 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 73.4 110.317 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.481 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -127.33 -43.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 65.01 110.28 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.788 HD22 ' C ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -105.89 -173.94 2.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 64.33 109.344 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.48 -83.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 74.52 109.319 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -83.14 -91.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 72.13 109.951 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -71.38 68.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 73.32 109.335 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.788 ' C ' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -57.51 -71.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 75.44 109.28 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.491 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 1.2 p -53.67 -44.39 69.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 63.25 110.028 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.454 ' CB ' ' HB2' ' A' ' 79' ' ' ASN . 2.7 mt-10 -63.41 -16.2 59.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 64.23 110.269 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.507 ' OE1' ' CZ ' ' A' ' 470' ' ' ARG . 0.0 OUTLIER -92.93 -64.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 72.43 110.315 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' CG ' ' HA ' ' A' ' 81' ' ' SER . 0.3 OUTLIER -45.89 -36.64 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 71.44 110.298 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.927 ' HG ' HD12 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -71.23 -67.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 70.1 109.32 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -40.49 -36.25 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 73.53 109.312 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.619 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.1 mm-40 -73.13 -48.94 31.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 72.21 110.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.674 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -67.94 -16.28 63.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 64.03 109.335 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 85' ' ' LEU . 12.4 t80 -73.75 -64.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 74.12 110.991 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -65.5 -30.24 70.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 32.15 109.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 87' ' ' GLU . 5.9 t -61.43 -54.67 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 74.43 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.937 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.9 m-85 -65.0 -45.89 83.72 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.62 1.676 . . . . 70.04 111.016 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.19 98.77 0.83 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.906 -1.045 . . . . 74.23 109.968 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.94 -29.25 22.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 65.33 109.285 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.444 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -79.09 -42.95 25.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 63.24 109.299 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.58 77.46 1.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 63.41 110.987 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.741 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -137.26 8.84 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 71.21 109.329 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.457 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 71.55 11.61 72.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 71.45 111.027 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.758 HD23 ' HB3' ' A' ' 136' ' ' ASN . 2.2 mt -144.28 113.74 7.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 71.42 109.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.554 HD13 ' CB ' ' A' ' 92' ' ' PHE . 57.1 mt -76.8 104.84 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 72.01 109.282 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.4 t -67.37 -175.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 63.31 109.956 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.49 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -56.91 -70.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 72.33 109.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.82 -66.22 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 62.2 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 103' ' ' ALA . 33.9 mt-10 -38.32 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 75.3 110.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.763 HD13 HD11 ' A' ' 135' ' ' ILE . 3.9 tp -89.73 -71.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 71.23 109.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.844 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -47.25 -60.66 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 73.32 109.332 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.607 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.56 -41.43 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 52.42 109.602 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.937 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.3 t -67.07 -42.97 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 72.35 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.611 HD12 ' CB ' ' A' ' 114' ' ' GLU . 2.5 mm? -60.93 -38.21 85.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 73.13 109.259 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.5 m -77.54 -27.05 51.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 71.54 110.413 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -65.13 -12.45 51.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 75.43 110.022 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.829 HG21 HD11 ' A' ' 465' ' ' ILE . 12.0 pt -112.8 -32.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 75.42 109.332 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 154.92 -35.35 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 63.13 111.023 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.611 ' CB ' HD12 ' A' ' 109' ' ' LEU . 7.7 mm-40 -61.05 106.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 70.01 110.287 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -103.8 95.46 6.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 70.51 109.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 120' ' ' GLU . 3.9 mp -107.77 142.31 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 74.44 109.265 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.453 HG23 ' OE1' ' A' ' 120' ' ' GLU . 13.7 p -74.15 152.34 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 74.31 110.39 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.442 ' HA ' HG12 ' A' ' 121' ' ' VAL . 1.1 m-20 -51.92 -21.81 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 70.22 109.295 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.38 -34.62 23.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 72.42 109.299 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.666 ' HB3' HD23 ' A' ' 116' ' ' LEU . 47.3 mt-10 -73.33 -29.68 62.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 75.11 110.321 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.844 HG21 ' HG2' ' A' ' 106' ' ' LYS . 9.9 p -81.88 -52.93 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 45.11 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.529 ' N ' HG13 ' A' ' 121' ' ' VAL . 10.2 t70 -49.79 -23.04 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 72.42 109.277 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.02 -31.89 16.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 71.31 109.328 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.517 ' HE3' HD22 ' A' ' 116' ' ' LEU . 34.1 ttm -64.65 -37.75 88.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 73.53 111.016 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 129' ' ' SER . 12.7 mt -64.56 -56.92 10.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 64.53 109.317 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -38.26 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 54.04 110.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 125' ' ' LEU . 15.0 mm-40 -49.15 -50.58 36.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 71.32 110.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.432 HG21 ' HB3' ' A' ' 142' ' ' ALA . 16.7 m -132.75 17.55 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 74.53 109.255 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.5 p -102.67 2.32 35.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 72.12 109.99 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.2 t0 45.15 48.36 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 74.34 109.277 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 49.28 36.23 22.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 55.34 110.975 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 129' ' ' SER . 94.4 p -88.05 -72.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 73.21 110.032 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.64 -16.58 1.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 70.23 111.012 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.7 mt-10 -141.57 170.11 16.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 71.23 110.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.763 HD11 HD13 ' A' ' 105' ' ' LEU . 3.8 pt -135.88 122.44 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.04 109.291 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.758 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -93.06 175.84 6.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 72.53 109.318 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 137' ' ' ILE . 7.3 tp -46.97 -24.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 73.33 109.308 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -81.55 -58.07 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 54.55 110.306 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.618 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 23.6 mt-30 -66.06 -58.29 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 54.31 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' ASN . 9.4 t80 -43.21 -48.76 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 73.04 111.051 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.644 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -53.24 -36.55 61.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 72.11 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -45.35 -49.18 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 33.1 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -42.95 91.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 71.24 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.927 HD12 ' HG ' ' A' ' 85' ' ' LEU . 1.4 mt -74.18 -3.41 29.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.21 109.266 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -144.07 41.82 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 70.41 110.017 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 142' ' ' ALA . 10.4 tptp -91.19 -62.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 72.32 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 41.95 49.08 5.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 65.32 111.053 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.0 t -126.98 128.78 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.746 . . . . 64.22 109.993 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.4 m 40.38 69.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 62.13 110.042 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.669 HG22 ' HB2' ' A' ' 455' ' ' ARG . 45.1 p -109.3 -72.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 54.2 110.427 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 453' ' ' THR . . . 80.23 27.01 53.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 70.42 110.974 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 151' ' ' GLY . 1.5 m 83.06 27.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 75.32 110.397 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 61.3 mmt-85 -128.56 -46.94 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 73.11 110.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.669 ' HB2' HG22 ' A' ' 150' ' ' THR . 35.2 mmt-85 -87.55 -19.91 27.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 73.01 110.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.452 ' HA ' ' NH2' ' A' ' 459' ' ' ARG . 0.1 OUTLIER -77.79 -21.78 51.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 70.45 109.306 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.15 -16.12 28.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 61.41 109.264 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.5 OUTLIER -69.02 -42.33 76.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 75.03 109.27 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.487 ' O ' HD13 ' A' ' 463' ' ' LEU . 1.9 ptp85 -76.25 -26.91 56.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 75.44 110.321 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.495 ' HA ' HD22 ' A' ' 463' ' ' LEU . 14.4 t30 -66.19 -31.2 71.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 74.21 109.339 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.66 ' HG2' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -54.91 -26.87 38.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 60.25 109.28 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.751 HG23 ' HE1' ' A' ' 92' ' ' PHE . 8.5 mt -89.61 -37.65 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 71.15 109.332 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 460' ' ' ASN . 5.0 mp -40.88 -48.82 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 72.43 109.308 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.842 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -69.73 -59.58 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 75.24 109.343 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.927 HG23 HD13 ' A' ' 39' ' ' LEU . 76.3 mt -39.91 -30.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 75.23 109.281 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.674 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.49 -72.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 70.33 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 470' ' ' ARG . 22.4 mttm -39.8 -67.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 73.03 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.564 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 35.3 t -45.09 -51.21 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 71.43 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 10.9 t -55.88 -31.7 63.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 72.2 109.998 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.507 ' CZ ' ' OE1' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -76.72 -40.14 49.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 62.52 110.305 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.609 ' HB3' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -47.81 -22.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 72.44 110.974 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.526 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 18.0 t80 -92.22 -28.21 17.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 73.04 111.038 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 470' ' ' ARG . 9.9 t -87.1 -1.86 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 52.34 110.01 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.421 ' HB ' ' CD ' ' A' ' 470' ' ' ARG . 12.2 p -109.08 -46.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 62.12 109.283 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.886 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -42.23 -33.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 72.35 109.281 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 71.35 110.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 62.31 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 t -101.57 -9.29 21.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 52.22 109.982 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p 39.67 42.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.3 109.955 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -90.26 53.13 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 63.32 109.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.735 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.1 mt -75.18 150.17 38.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.24 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 p -100.55 162.75 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 62.24 110.434 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 7' ' ' GLU . 11.9 pt-20 -40.97 -40.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.03 110.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 1.9 tp10 -62.86 -52.55 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 73.33 110.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.502 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 8.6 mm100 -49.91 -30.36 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 61.24 110.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.917 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.2 mm -71.79 -35.3 54.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 70.21 109.272 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.33 -12.62 60.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 71.25 109.309 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.795 ' HB3' ' HZ3' ' A' ' 456' ' ' LYS . 89.0 mt-10 -74.3 -61.04 2.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 62.11 110.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 24.5 m-85 -59.9 -14.05 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 75.34 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 1.1 mttt -64.93 -22.27 66.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 72.23 109.284 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.58 -57.79 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 44.04 110.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.038 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -52.96 -20.96 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 60.43 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.481 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.9 t80 -75.66 -39.03 58.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 70.41 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -28.01 66.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 71.42 109.307 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.975 HD21 ' HG3' ' A' ' 461' ' ' LYS . 65.5 mt -43.17 -39.75 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 71.35 109.316 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HZ ' HG11 ' A' ' 468' ' ' VAL . 5.2 m-85 -110.44 -45.85 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 75.11 111.024 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.481 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -58.8 86.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 74.41 109.272 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HE3' HG21 ' A' ' 34' ' ' THR . 63.7 mmtt -65.79 -67.28 0.46 Allowed 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.62 1.676 . . . . 73.23 109.352 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -73.92 -12.95 60.81 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.875 -1.059 . . . . 70.43 109.965 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.4 m120 57.73 62.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 61.33 109.316 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.3 p30 -97.03 -22.01 17.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 73.12 109.345 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.83 33.79 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 72.32 111.028 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.98 111.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 75.54 109.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 19' ' ' PHE . 75.4 mt -91.83 101.19 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 62.4 109.328 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -68.07 165.76 17.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 72.52 110.005 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' HG11 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -61.22 -15.46 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 52.42 110.033 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.7 -24.93 22.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 65.02 110.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -90.73 -29.9 17.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 53.53 110.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.04 HD22 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -74.82 -48.78 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 72.12 109.345 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.656 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -69.88 -12.37 61.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 74.44 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.512 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -69.95 -25.53 63.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 63.3 110.379 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.524 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.0 t -91.49 -62.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 63.11 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.471 ' HE1' ' HB2' ' A' ' 472' ' ' PHE . 90.3 mtp -41.64 -46.34 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.31 111.001 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.4 ptm180 -62.36 -43.54 98.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 73.54 110.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 25.6 m -56.13 -35.66 67.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 64.11 109.98 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.04 HD13 HG23 ' A' ' 465' ' ' ILE . 4.0 mt -69.96 -22.34 63.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 70.32 109.331 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.32 -4.9 8.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 50.43 111.004 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 36' ' ' MET . 15.2 mt -70.06 177.33 3.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 64.41 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.527 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 16.0 p -157.56 58.17 1.42 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 62.41 109.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.572 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.5 Cg_endo -74.92 114.01 3.93 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.538 1.809 . . . . 71.5 111.043 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.67 140.58 54.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 73.02 109.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -46.3 -28.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 73.44 110.26 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.34 77.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 54.33 109.288 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.5 mm-40 -74.77 -49.92 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.03 110.256 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.04 HG13 HD22 ' A' ' 32' ' ' LEU . 53.4 t -41.11 -39.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 63.51 109.313 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' ASN . 93.0 m-20 -65.41 -61.23 2.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 74.35 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.0 -16.1 11.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 71.44 109.273 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.5 tm? -82.18 -51.26 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 64.12 109.271 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.403 ' HB3' HD13 ' A' ' 32' ' ' LEU . 6.3 ptm -79.06 -13.33 59.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 70.41 110.98 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 6.4 m-80 -85.27 -8.77 58.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 74.41 109.324 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.59 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.3 mm-40 -85.94 -12.24 51.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 63.21 110.295 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.634 HD12 ' CD1' ' A' ' 71' ' ' LEU . 2.0 mm -117.83 -39.78 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 71.43 109.339 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 2.6 t0 -38.92 119.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 73.51 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 67' ' ' GLU . 2.6 p -93.04 -31.55 4.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 CA-C-O 123.615 1.674 . . . . 74.14 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 49.7 p30 -92.51 -7.32 47.67 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.946 -1.026 . . . . 70.31 110.022 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.34 42.08 88.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 63.43 111.028 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 39.4 p-10 -96.97 10.22 39.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 74.43 109.268 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.72 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 17.1 t60 66.83 32.26 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 70.02 109.639 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 42.7 mt-30 -152.96 -175.86 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 65.13 110.32 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.18 126.19 58.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 60.22 109.286 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -93.52 177.92 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 52.44 110.295 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.917 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 4.2 t80 -76.01 -13.3 60.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 50.11 110.987 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 p -90.43 -44.26 9.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 53.31 109.998 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG2' ' CG1' ' A' ' 57' ' ' VAL . 10.3 mt-10 -70.29 -53.17 17.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 71.04 110.295 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -51.81 -45.38 63.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.35 111.016 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.726 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.22 -31.8 69.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 72.13 109.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.68 -16.43 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 31.04 109.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.634 ' CD1' HD12 ' A' ' 55' ' ' ILE . 5.0 tp -73.74 -50.91 18.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 74.34 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.463 ' SD ' ' CD ' ' A' ' 467' ' ' LYS . 6.2 mmt -56.05 -42.61 76.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 75.01 111.011 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.1 p -82.18 6.06 17.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 73.41 110.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -127.33 10.66 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.41 110.282 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' C ' ' CG ' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -108.65 54.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 65.15 110.293 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.429 ' HA ' ' CB ' ' A' ' 80' ' ' ASP . 6.9 mt -155.11 112.15 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 73.23 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -136.62 -61.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 51.45 109.307 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.7 t -132.85 -74.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 51.14 109.988 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.86 43.56 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 35.11 109.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.429 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -73.51 -67.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.34 109.333 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.76 -35.65 14.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 72.52 109.985 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.05 -33.53 76.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 72.43 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.454 ' OE1' ' NH1' ' A' ' 470' ' ' ARG . 22.0 mm-40 -68.72 -64.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 73.11 110.312 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' HB2' ' HB1' ' A' ' 466' ' ' ALA . 8.9 pt-20 -38.55 -29.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 64.32 110.298 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.881 ' HB3' HD11 ' A' ' 137' ' ' ILE . 7.8 mt -66.52 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 55.13 109.28 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 87' ' ' GLU . 2.8 pp -57.76 -46.91 83.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 72.41 109.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.551 ' N ' HD12 ' A' ' 86' ' ' LEU . 36.2 mm-40 -51.58 -44.89 62.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 71.32 110.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -80.5 -24.63 39.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 72.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.9 t80 -66.04 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 71.1 110.99 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -60.95 -31.34 70.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 75.53 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.3 t -62.7 -54.72 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 75.43 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.949 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.2 m-85 -64.39 -41.7 96.52 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.659 1.695 . . . . 70.21 111.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.3 OUTLIER -71.9 101.93 2.78 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.927 -1.035 . . . . 74.34 109.995 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 -33.27 19.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 61.34 109.297 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.61 -44.97 32.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 74.41 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.04 78.58 1.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 75.2 111.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.606 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.44 11.34 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 72.44 109.306 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.869 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.97 18.45 74.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 75.42 111.001 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -150.03 110.92 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 70.25 109.268 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.59 HD13 ' CB ' ' A' ' 92' ' ' PHE . 57.4 mt -75.58 104.12 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 73.02 109.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.1 p -69.66 173.27 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 74.12 110.015 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.594 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -44.67 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 60.44 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.75 -66.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 64.13 109.282 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 33.5 mt-10 -37.94 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 60.15 110.281 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.834 HD23 HG23 ' A' ' 121' ' ' VAL . 3.0 tp -89.99 -72.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 70.31 109.304 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.595 ' CB ' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -46.57 -60.02 2.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 73.14 109.269 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.667 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.22 -41.5 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 72.32 109.564 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.949 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -68.6 -41.81 83.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 73.34 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' LYS . 0.7 OUTLIER -61.44 -38.15 86.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 50.2 109.283 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.0 m -81.28 -10.17 59.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 72.12 110.38 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.89 0.07 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 70.22 109.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.973 HG21 HD11 ' A' ' 465' ' ' ILE . 2.6 pt -112.72 -33.05 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 72.11 109.298 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.422 ' N ' HG13 ' A' ' 112' ' ' ILE . . . 150.25 -42.51 0.77 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 73.11 111.025 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.979 ' OE1' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -52.04 173.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 73.43 110.267 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 114' ' ' GLU . 14.4 mtmm -154.72 116.96 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 64.23 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.979 HD13 ' OE1' ' A' ' 114' ' ' GLU . 1.5 mp -125.85 138.34 53.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 75.01 109.329 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' GLU . 21.5 p -66.64 147.73 52.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 62.4 110.388 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.37 -21.79 3.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 73.11 109.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.72 -27.98 20.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 74.41 109.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' THR . 20.0 mm-40 -73.68 -47.92 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 72.42 110.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.834 HG23 HD23 ' A' ' 105' ' ' LEU . 11.6 p -67.07 -53.91 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 71.52 109.291 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.549 ' N ' HG13 ' A' ' 121' ' ' VAL . 8.8 t70 -50.74 -21.96 1.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 61.15 109.281 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -90.71 -31.93 16.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 53.21 109.302 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.515 ' SD ' HD21 ' A' ' 105' ' ' LEU . 14.3 ttm -63.21 -30.88 71.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 73.32 111.017 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' A' ' 102' ' ' ALA . 13.1 mt -65.95 -52.5 49.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 73.44 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' LEU . 37.9 mtt180 -37.87 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 64.25 110.288 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 89.6 mt-10 -48.86 -50.3 35.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.33 110.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.437 HG11 ' CB ' ' A' ' 142' ' ' ALA . 34.4 m -132.13 16.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 72.21 109.324 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 125' ' ' LEU . 38.5 p -106.17 3.58 28.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 73.45 109.991 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 129' ' ' SER . 20.0 t70 38.36 50.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 55.43 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 48.31 45.68 28.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 63.34 111.003 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 129' ' ' SER . 37.5 t -95.8 -69.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 71.31 110.001 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.17 -11.43 2.3 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 51.34 110.993 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.4 mt-10 -148.37 166.79 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 0.798 . . . . 75.24 110.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.65 HG22 HE21 ' A' ' 139' ' ' GLN . 7.3 pt -136.67 130.33 46.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 55.54 109.301 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.434 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -94.13 -176.28 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 54.03 109.267 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.909 HG23 ' OE1' ' A' ' 138' ' ' GLN . 6.5 tp -56.59 -17.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 74.33 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.909 ' OE1' HG23 ' A' ' 137' ' ' ILE . 14.4 mm100 -88.23 -50.86 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 61.52 110.283 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.707 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 29.3 mt-30 -70.3 -57.25 5.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 74.52 110.314 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' A' ' 143' ' ' LEU . 43.4 t80 -42.36 -51.48 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 74.21 110.966 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.24 -35.12 71.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 74.23 109.259 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.54 -38.74 9.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 64.05 109.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 140' ' ' PHE . 1.7 mt -57.69 -45.06 86.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 63.14 109.286 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.759 ' N ' HD23 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -75.93 -13.18 60.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 72.43 109.279 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.16 44.56 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 53.4 109.961 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 142' ' ' ALA . 21.1 tptt -179.1 113.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 74.24 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -135.56 79.98 0.31 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 72.34 110.987 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 149' ' ' SER . 1.4 t -87.61 116.22 25.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 55.31 110.04 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 148' ' ' SER . 1.2 m 85.58 31.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 75.33 110.037 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.849 HG22 ' CB ' ' A' ' 455' ' ' ARG . 64.1 p -114.73 -179.6 3.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 72.33 110.451 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 178.73 -68.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.096 . . . . 72.44 110.963 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 3.7 m -144.77 16.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 73.51 110.414 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -129.19 -47.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 62.03 110.26 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.849 ' CB ' HG22 ' A' ' 150' ' ' THR . 37.2 mmt-85 -85.63 -32.78 21.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 64.12 110.28 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.795 ' HZ3' ' HB3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -57.19 -22.87 43.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 75.12 109.286 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . 0.715 ' HB2' ' HE3' ' A' ' 456' ' ' LYS . . . -86.98 -21.6 26.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 74.32 109.307 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 458' ' ' LEU . 0.3 OUTLIER -61.08 -44.53 97.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 64.43 109.333 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.665 ' O ' HD13 ' A' ' 463' ' ' LEU . 2.1 ptp85 -77.09 -26.04 52.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.33 110.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.455 ' HA ' HD22 ' A' ' 463' ' ' LEU . 20.7 t30 -70.04 -29.43 66.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 62.14 109.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.975 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -57.72 -26.43 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 65.54 109.303 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.689 HG23 ' CE1' ' A' ' 92' ' ' PHE . 7.6 mt -89.16 -32.52 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 72.1 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 459' ' ' ARG . 6.1 mp -48.23 -46.17 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 74.23 109.307 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 1.038 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -68.28 -61.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 52.24 109.307 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.04 HG23 HD13 ' A' ' 39' ' ' LEU . 17.8 mt -47.05 -24.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 71.1 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -80.79 -63.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 74.22 109.341 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.463 ' CD ' ' SD ' ' A' ' 72' ' ' MET . 22.2 mttt -61.26 -63.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 75.52 109.346 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.912 HG22 ' O ' ' A' ' 464' ' ' ALA . 5.0 m -38.85 -31.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 65.42 109.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 467' ' ' LYS . 1.3 t -77.71 -56.97 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 73.45 110.029 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.0 OUTLIER -50.1 -44.83 52.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.34 110.329 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.654 ' HB3' HD21 ' A' ' 51' ' ' LEU . 14.1 mtm -45.81 -29.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 61.04 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 12.6 t80 -87.27 -27.46 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 60.41 110.997 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 470' ' ' ARG . 13.9 t -86.22 -2.06 58.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 73.42 110.018 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 470' ' ' ARG . 12.2 p -112.6 -44.85 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 71.33 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.1 OUTLIER -40.22 -33.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 63.42 109.333 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 73.13 110.345 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.968 -0.853 . . . . 74.54 110.968 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p -88.35 146.6 25.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 62.31 110.017 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -67.81 79.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 75.45 109.995 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -84.72 56.13 3.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 52.23 109.238 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.726 HD13 ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -116.65 149.4 39.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 72.32 109.307 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 5' ' ' THR . 6.3 p -77.38 162.42 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 64.11 110.387 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -53.93 -23.6 13.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.41 110.293 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -73.68 -30.36 62.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 71.13 110.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 3.3 mt-30 -78.87 -39.0 36.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 72.15 110.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.831 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 1.6 mm -60.71 -21.44 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 63.12 109.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.79 -18.24 35.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 75.22 109.332 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 52.2 mt-10 -73.74 -61.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 73.34 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.726 ' CE2' HD13 ' A' ' 4' ' ' LEU . 33.4 m-85 -53.8 -22.12 8.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 65.34 110.964 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -54.72 -31.65 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.23 109.307 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.08 -35.35 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.54 110.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -71.05 -15.3 62.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 65.13 109.263 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 8.0 t80 -86.73 -35.1 19.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 73.13 110.965 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.25 -18.2 65.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 72.34 109.298 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.844 HD21 ' HG2' ' A' ' 461' ' ' LYS . 59.2 mt -51.16 -34.71 32.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 73.43 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.882 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 5.8 m-85 -115.69 -49.82 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 71.24 111.043 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.65 92.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 61.54 109.296 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.751 ' HE3' HG21 ' A' ' 34' ' ' THR . 20.1 mmtt -70.48 -67.3 0.51 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 123.64 1.686 . . . . 65.13 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.6 p30 -74.45 -7.88 54.44 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 117.898 -1.049 . . . . 74.13 109.962 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.74 61.18 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 71.21 109.283 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 13.1 p30 -94.09 -26.83 16.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 70.5 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 111.58 33.61 2.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 42.03 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.401 ' CB ' ' OE1' ' A' ' 62' ' ' GLN . 0.6 OUTLIER -168.91 111.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 63.22 110.012 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.593 HD13 ' HB2' ' A' ' 19' ' ' PHE . 90.4 mt -92.41 99.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 63.24 109.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 p -64.97 179.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.32 110.004 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -68.61 -34.16 75.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 74.22 110.024 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -30.15 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 75.44 110.025 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 34' ' ' THR . 51.8 mt-10 -82.55 -35.2 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 74.12 110.347 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.037 HD22 HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -73.31 -49.61 26.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 63.01 109.323 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.703 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -70.09 -12.84 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 71.24 109.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.751 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -68.73 -23.96 64.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 74.31 110.407 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 1.7 t -88.72 -56.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 63.05 109.32 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.624 ' CE ' HD13 ' A' ' 41' ' ' LEU . 70.7 mmm -37.26 -55.37 1.01 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 71.41 110.987 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' SER . 18.2 ptp180 -61.34 -42.46 98.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 75.2 110.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.3 m -54.77 -22.14 13.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 61.32 110.012 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.976 HD13 HG23 ' A' ' 465' ' ' ILE . 18.4 mt -90.81 -22.41 21.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 72.03 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.69 4.87 8.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 73.02 111.05 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.637 HD11 ' OG ' ' A' ' 469' ' ' SER . 29.0 mt -81.76 -176.35 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 75.31 109.334 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.457 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 34.3 p -162.61 61.17 1.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 63.13 110.029 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HA ' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.99 139.28 24.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 63.03 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.43 140.34 38.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 61.51 110.005 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 16.6 tt0 -53.73 -27.33 27.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 75.04 110.328 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.0 -49.2 75.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 73.04 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.79 ' CB ' HD21 ' A' ' 475' ' ' LEU . 2.7 mt-10 -74.07 -51.91 14.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 65.42 110.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.037 HG13 HD22 ' A' ' 32' ' ' LEU . 55.1 t -40.41 -29.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 51.25 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 47' ' ' GLU . 86.8 m-20 -73.33 -65.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 73.53 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -22.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 71.52 109.298 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.897 ' HB2' HD22 ' A' ' 475' ' ' LEU . 4.6 tt -80.52 -62.42 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 72.03 109.303 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.406 ' HB3' HD13 ' A' ' 32' ' ' LEU . 10.2 ptm -62.97 -13.75 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 61.11 110.958 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -90.74 -12.39 36.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 73.23 109.317 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.746 ' C ' HD13 ' A' ' 55' ' ' ILE . 5.4 mm-40 -82.47 -10.32 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.41 110.261 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.746 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.2 mm -117.74 -41.57 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 61.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 7.1 t0 -37.93 123.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.23 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.455 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 3.3 t -82.19 -36.13 13.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 CA-C-O 123.596 1.665 . . . . 61.52 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.505 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 54.3 p30 -97.08 -6.15 35.82 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.86 -1.067 . . . . 65.23 109.967 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.84 43.18 81.14 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.523 1.139 . . . . 73.41 110.997 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 29.1 p-10 -97.49 13.75 28.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.771 . . . . 72.4 109.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.654 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 44.3 t60 67.63 38.21 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.04 109.609 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.422 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 34.2 mt-30 -154.3 158.45 40.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 74.53 110.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -116.24 123.73 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 72.25 109.318 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 5.7 mt-10 -91.75 166.49 12.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 54.21 110.34 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.831 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 1.8 t80 -64.66 -12.99 52.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 72.33 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.3 p -94.27 -43.13 8.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 71.45 110.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 20.3 mt-10 -67.75 -47.99 67.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 71.34 110.315 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.421 ' HE1' ' HB3' ' A' ' 15' ' ' ALA . 58.6 t80 -58.7 -42.11 87.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 72.04 111.035 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.662 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.68 -31.04 67.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 75.35 109.288 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -70.83 -19.97 62.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 63.41 109.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.853 HD21 ' SD ' ' A' ' 471' ' ' MET . 3.3 tp -69.57 -53.29 19.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 65.14 109.332 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.5 ' SD ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -60.29 -16.92 38.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.43 110.99 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -118.15 27.28 9.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 74.04 109.967 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -135.33 -75.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 73.01 110.313 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.621 ' O ' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -68.29 109.29 3.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 63.43 110.26 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 75' ' ' GLN . 14.6 mt -148.3 -76.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 73.14 109.266 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 78' ' ' SER . 2.1 mtmt 78.44 2.01 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 64.31 109.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 2.1 m 79.54 7.68 1.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 62.31 109.999 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.413 ' O ' ' CG ' ' A' ' 83' ' ' GLN . 0.4 OUTLIER -116.5 -7.3 11.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 44.54 109.33 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.47 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 1.0 OUTLIER -73.32 -62.79 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 72.1 109.291 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.501 ' O ' HD12 ' A' ' 85' ' ' LEU . 43.7 t -38.67 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 53.3 109.956 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -90.69 -44.29 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 71.52 110.294 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.557 ' HA ' HD23 ' A' ' 86' ' ' LEU . 3.6 mm-40 -65.17 -60.14 3.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 63.31 110.31 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 6.2 pt-20 -38.62 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 72.45 110.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -72.25 -68.75 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.148 . . . . 74.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 83' ' ' GLN . 1.8 pp -46.47 -30.68 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 70.25 109.309 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 11.4 mm-40 -73.77 -57.32 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 60.53 110.291 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.035 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -64.9 -13.02 55.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 55.24 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 16.3 t80 -83.95 -55.82 4.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 64.24 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 11.9 ptpt -67.34 -40.71 85.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 72.5 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.483 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 1.7 p -55.06 -47.78 76.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 71.2 109.29 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.836 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.4 m-85 -68.0 -37.83 81.92 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 123.639 1.685 . . . . 73.51 111.012 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' OD2' ' HA2' ' A' ' 96' ' ' GLY . 0.3 OUTLIER -76.15 102.61 5.82 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 117.953 -1.023 . . . . 75.34 109.969 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -32.37 19.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.22 109.322 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.45 -50.94 12.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 62.45 109.289 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.47 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 93.11 63.59 1.09 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 73.53 110.97 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.728 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -119.19 -6.13 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 74.01 109.273 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.14 7.81 67.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 60.2 111.028 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.814 HD23 ' HB3' ' A' ' 136' ' ' ASN . 1.1 mt -142.27 116.56 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 65.11 109.311 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.626 HD13 ' CB ' ' A' ' 92' ' ' PHE . 58.0 mt -78.75 105.82 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 73.41 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 p -70.03 -178.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 65.51 110.027 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.78 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -51.8 -71.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 63.11 109.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -41.1 -65.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 75.31 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' ALA . 75.2 mt-10 -38.34 -29.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 60.45 110.353 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.836 HD23 ' CG2' ' A' ' 121' ' ' VAL . 3.3 tp -93.46 -72.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 64.12 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.537 ' HB3' HG21 ' A' ' 121' ' ' VAL . 5.6 ptmt -48.51 -56.98 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 70.44 109.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.627 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.3 -37.6 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.24 109.581 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.836 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -71.92 -40.26 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 75.51 109.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 114' ' ' GLU . 1.9 mm? -67.12 -26.18 66.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 74.45 109.354 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.6 m -82.8 -17.16 45.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 65.02 110.357 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.754 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -76.72 -10.69 59.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 70.23 109.974 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.05 HG21 HD11 ' A' ' 465' ' ' ILE . 6.1 pt -112.44 -32.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 65.25 109.271 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.36 -33.73 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 61.35 110.958 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.517 ' CB ' HD12 ' A' ' 109' ' ' LEU . 10.4 mm-40 -62.63 106.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 71.14 110.269 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -106.73 93.21 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 75.53 109.357 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 120' ' ' GLU . 1.4 mp -102.39 142.52 33.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 72.41 109.32 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.2 p -75.15 155.68 36.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 73.53 110.374 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 33.3 t0 -53.65 -34.3 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 71.21 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.19 -24.13 51.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 62.02 109.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.686 ' HB3' HD23 ' A' ' 116' ' ' LEU . 51.5 mt-10 -76.73 -56.69 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 52.51 110.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.836 ' CG2' HD23 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -63.07 -50.4 79.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 24.12 109.289 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.51 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 12.8 t0 -47.07 -25.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 65.32 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 121' ' ' VAL . 3.4 t0 -90.65 -35.99 14.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 72.35 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 121' ' ' VAL . 36.7 ttm -62.73 -36.11 81.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 74.23 110.991 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.658 HD13 ' O ' ' A' ' 133' ' ' GLY . 10.1 mt -62.12 -52.66 62.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 71.54 109.261 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 125' ' ' LEU . 37.5 mtt180 -37.11 -30.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.45 110.329 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 27.0 mm-40 -46.42 -50.39 16.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 73.33 110.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.539 HG11 ' CB ' ' A' ' 142' ' ' ALA . 19.9 m -132.32 14.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.24 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.0 p -100.48 11.29 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 75.33 109.992 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 129' ' ' SER . 25.9 t0 39.2 45.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 73.33 109.257 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.91 46.75 75.66 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.492 1.12 . . . . 45.45 110.984 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' SER . 41.5 t -106.83 -77.39 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 0.795 . . . . 65.51 110.002 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.658 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 149.9 -17.58 1.08 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.518 1.136 . . . . 52.33 111.041 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 19.6 mt-10 -129.84 156.22 44.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 72.22 110.334 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.784 HD11 HD13 ' A' ' 105' ' ' LEU . 3.0 pt -128.82 123.04 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 74.11 109.332 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.814 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -91.99 175.17 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 60.14 109.307 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.52 ' HB ' ' CE2' ' A' ' 89' ' ' PHE . 5.7 tp -46.48 -25.0 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 62.24 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.413 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 3.8 mm-40 -81.92 -58.47 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 73.02 110.284 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.577 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 20.9 mt-30 -64.6 -57.42 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 74.32 110.276 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' A' ' 144' ' ' LEU . 20.8 t80 -44.52 -44.48 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 74.23 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.551 ' CB ' HD21 ' A' ' 85' ' ' LEU . . . -56.98 -35.71 69.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 41.42 109.262 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -49.29 -48.0 46.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.02 109.26 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.2 mt -59.71 -45.3 92.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 74.1 109.333 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 85' ' ' LEU . 4.7 mt -72.05 -6.15 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 43.04 109.29 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 t -134.02 41.55 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 74.13 110.004 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.39 81.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 73.22 109.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -120.18 54.01 0.67 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 72.44 111.032 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.2 m -117.3 -36.73 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 62.44 109.961 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 18.1 m -136.84 77.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 72.44 109.976 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.564 HG22 ' HB2' ' A' ' 455' ' ' ARG . 50.0 p -120.21 -72.05 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 61.51 110.363 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 150' ' ' THR . . . 82.17 42.7 8.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 54.12 110.978 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 453' ' ' THR . 2.0 m 63.77 45.55 4.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 71.01 110.422 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -145.04 -59.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 75.0 110.306 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.564 ' HB2' HG22 ' A' ' 150' ' ' THR . 42.6 mmt-85 -68.29 -35.98 78.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 71.12 110.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -60.61 -16.66 40.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 71.4 109.311 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.84 -18.25 24.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 72.11 109.319 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 458' ' ' LEU . 0.4 OUTLIER -73.16 -47.62 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 53.01 109.282 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -73.94 -34.68 64.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 75.53 110.291 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.597 ' HA ' HD12 ' A' ' 463' ' ' LEU . 9.1 t30 -58.42 -35.89 72.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 62.22 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.844 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -58.77 -27.13 64.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 71.14 109.33 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.657 HG23 ' HE1' ' A' ' 92' ' ' PHE . 27.1 mt -89.57 -35.45 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 74.23 109.302 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 460' ' ' ASN . 96.8 mt -47.35 -48.11 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 75.32 109.308 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.564 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -70.23 -56.3 7.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 61.51 109.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.05 HD11 HG21 ' A' ' 112' ' ' ILE . 10.3 mt -45.16 -26.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 75.32 109.341 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 1.035 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.02 -72.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 62.54 109.275 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.482 ' CE ' ' HA ' ' A' ' 72' ' ' MET . 4.2 mtpp -46.83 -59.96 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 65.4 109.303 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.882 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 98.4 t -42.47 -30.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 74.23 109.336 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.637 ' OG ' HD11 ' A' ' 41' ' ' LEU . 7.4 t -82.95 -67.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 53.41 110.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.455 ' HD3' HG23 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -40.64 -29.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.13 110.289 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.853 ' SD ' HD21 ' A' ' 71' ' ' LEU . 30.6 mtp -57.96 -47.06 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 63.41 111.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.609 ' CZ ' ' HA ' ' A' ' 43' ' ' PRO . 46.6 t80 -58.71 -25.37 62.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 74.33 110.985 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 52.7 m -80.33 -15.09 57.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 74.11 109.995 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.455 HG23 ' HD3' ' A' ' 470' ' ' ARG . 58.5 t -96.71 -52.38 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 72.13 109.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.897 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -38.49 -34.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 74.42 109.322 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 73.21 110.269 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.018 -0.833 . . . . 53.4 111.018 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 p -127.21 96.01 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 52.31 110.032 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.66 151.74 41.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 72.1 109.995 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -137.1 58.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 52.25 109.283 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.55 HD11 ' OG ' ' A' ' 73' ' ' SER . 1.3 mt -126.13 148.76 49.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 73.22 109.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.446 HG23 ' OE1' ' A' ' 8' ' ' GLN . 4.9 p -77.91 166.1 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 74.55 110.411 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -53.83 -31.86 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.35 110.294 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -66.51 -27.25 67.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 74.32 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' OE1' HG23 ' A' ' 5' ' ' THR . 2.7 mt-30 -83.41 -39.77 20.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 73.32 110.288 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.986 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -60.99 -30.19 47.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 74.41 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -16.66 63.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 65.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 67.8 mt-10 -74.4 -68.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 75.13 110.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 4' ' ' LEU . 43.5 m-85 -51.51 -20.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 74.12 110.967 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -50.81 -44.32 59.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 75.02 109.317 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -69.92 -53.54 17.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 60.04 110.318 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.969 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -50.91 -23.02 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 75.25 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CZ ' ' C ' ' A' ' 64' ' ' GLU . 9.2 t80 -78.58 -34.04 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 71.01 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.37 -16.54 64.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 73.44 109.271 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.767 HD21 ' HG3' ' A' ' 461' ' ' LYS . 36.7 mt -56.85 -37.51 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 60.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.657 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 38.4 m-85 -107.75 -45.9 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 73.22 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.501 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -58.12 86.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 73.41 109.296 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.569 ' HE3' HG21 ' A' ' 34' ' ' THR . 39.5 mmtt -58.55 -67.56 0.35 Allowed 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 123.627 1.68 . . . . 60.22 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -79.09 -21.28 46.93 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.903 -1.046 . . . . 75.0 109.991 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m120 71.81 57.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 72.14 109.327 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 21.6 p30 -93.24 -13.24 28.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 72.12 109.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.439 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 96.59 35.84 5.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 71.12 110.98 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.404 ' CB ' ' HB3' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -169.08 113.55 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 73.55 110.054 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 26.5 mt -95.97 98.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 62.23 109.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.23 162.86 24.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 63.15 109.978 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.43 ' CB ' HG12 ' A' ' 48' ' ' VAL . 2.7 t -57.66 -16.96 12.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 75.45 110.033 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -25.24 29.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 71.42 110.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.724 ' O ' HG22 ' A' ' 34' ' ' THR . 38.1 mt-10 -90.53 -40.19 12.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 74.11 110.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.989 HD22 HG13 ' A' ' 48' ' ' VAL . 1.1 tt -62.97 -49.82 73.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 70.2 109.314 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.583 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -67.83 -12.63 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 65.34 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -71.82 -29.26 64.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 54.12 110.394 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.559 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.2 t -89.23 -61.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 72.42 109.298 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.721 ' HE2' HD13 ' A' ' 41' ' ' LEU . 69.8 mtp -37.85 -52.74 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 74.11 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' SER . 5.2 ptm180 -62.38 -40.61 97.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 73.32 110.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' VAL . 15.5 m -60.83 -29.07 69.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 62.42 109.992 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.021 HD13 HG23 ' A' ' 465' ' ' ILE . 14.5 mt -76.32 -21.47 56.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 72.33 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.24 1.54 8.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.448 1.093 . . . . 61.34 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.721 HD13 ' HE2' ' A' ' 36' ' ' MET . 16.1 mt -81.25 -174.0 4.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 71.32 109.29 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 3.6 t -164.2 61.3 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 63.32 109.982 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.97 142.4 27.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 72.1 111.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m -87.45 140.43 29.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 74.33 109.947 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 17.5 tt0 -48.13 -28.12 2.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 75.42 110.291 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.67 -49.48 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 64.14 109.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.15 -51.34 12.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 64.53 110.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.989 HG13 HD22 ' A' ' 32' ' ' LEU . 54.7 t -40.48 -34.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 72.52 109.26 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 89.1 m-20 -66.77 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 71.2 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -56.37 -17.82 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 64.55 109.301 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.847 HD11 ' HE2' ' A' ' 471' ' ' MET . 1.6 tm? -76.62 -56.41 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 74.45 109.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 ptp -75.9 -14.23 60.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 52.23 111.002 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -83.93 -8.06 59.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 72.02 109.282 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.985 ' C ' HD13 ' A' ' 55' ' ' ILE . 7.8 mt-10 -93.36 -6.75 46.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 65.04 110.288 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.985 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -117.1 -48.16 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 72.41 109.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 2.1 t0 -39.87 120.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 64.42 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 67' ' ' GLU . 49.8 t -88.58 -12.52 10.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 CA-C-O 123.616 1.674 . . . . 33.53 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 47.0 p-10 -117.71 -8.02 10.93 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.887 -1.054 . . . . 63.24 109.97 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.486 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 60.89 39.47 96.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 70.3 110.989 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.435 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 31.3 p-10 -91.64 24.55 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 72.12 109.291 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.637 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 58.9 t60 48.07 37.16 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 71.43 109.572 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 40.4 mt-30 -159.51 149.94 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 71.21 110.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.85 127.03 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 61.44 109.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.524 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 9.6 mt-10 -92.75 178.86 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 74.43 110.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.986 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.6 t80 -77.38 -13.29 59.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 63.15 110.999 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.4 p -91.99 -44.22 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 62.33 109.979 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HG2' HG23 ' A' ' 57' ' ' VAL . 29.3 mt-10 -68.09 -55.75 11.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 61.31 110.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -49.42 -48.52 47.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 73.13 110.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -67.41 -32.95 74.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 72.23 109.297 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.45 -15.52 63.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 74.34 109.3 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.67 HD12 HD12 ' A' ' 55' ' ' ILE . 3.5 tt -79.65 -54.49 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 63.24 109.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 72' ' ' MET . 0.7 OUTLIER -52.96 -26.16 14.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 74.15 110.966 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.55 ' OG ' HD11 ' A' ' 4' ' ' LEU . 1.3 m -107.27 30.75 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 64.41 110.047 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.24 -50.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 75.23 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' LYS . 0.9 OUTLIER -50.11 -32.79 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 70.14 110.276 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.615 ' N ' HD23 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -60.72 84.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 44.21 109.306 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -87.65 -71.15 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 75.21 109.329 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.9 m -135.32 -67.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 75.14 109.968 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.4 47.58 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 73.32 109.3 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 83' ' ' GLN . 0.4 OUTLIER -84.25 -58.86 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 54.24 109.329 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 p -39.39 -35.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 73.42 110.029 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -47.41 20.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 71.44 110.323 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.551 HE22 HD21 ' A' ' 86' ' ' LEU . 11.1 tp-100 -56.86 -56.31 23.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 70.53 110.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 11.0 pt-20 -48.63 -41.13 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 74.34 110.296 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.786 HD21 ' HA ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -64.93 -66.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 71.5 109.329 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -46.78 -28.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 72.14 109.3 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 83' ' ' GLN . 6.7 mm-40 -73.66 -49.99 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 74.24 110.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.822 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -74.17 -12.79 60.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 34.53 109.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 85' ' ' LEU . 13.6 t80 -71.69 -49.64 37.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 65.42 110.975 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -77.43 -33.94 54.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 71.3 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -57.0 -49.19 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 61.33 109.337 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.898 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.6 m-85 -66.37 -38.24 87.12 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 123.625 1.678 . . . . 74.34 111.04 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.32 99.59 2.45 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 117.899 -1.048 . . . . 52.32 109.985 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -85.53 -32.95 21.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 75.45 109.287 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.23 -46.42 28.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 70.43 109.3 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.03 77.24 1.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.495 1.122 . . . . 65.01 111.012 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.729 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -140.17 10.87 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 74.33 109.271 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.863 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 68.95 20.57 74.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 64.44 110.989 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.0 mt -149.9 110.64 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 72.54 109.31 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.57 HD13 ' CB ' ' A' ' 92' ' ' PHE . 63.8 mt -76.21 103.82 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 73.21 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.2 p -72.29 176.96 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 51.42 109.979 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -46.32 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 51.13 109.261 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -40.76 -66.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 74.01 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 103' ' ' ALA . 41.3 mt-10 -38.26 -29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 53.42 110.286 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.754 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.4 OUTLIER -93.44 -72.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 74.31 109.249 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.643 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -47.62 -56.49 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 64.32 109.313 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.643 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -47.01 -40.32 14.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 64.12 109.634 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.898 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -68.48 -46.77 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 61.5 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 116' ' ' LEU . 1.2 mt -60.61 -28.71 68.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 52.31 109.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 10.6 m -81.99 -9.36 59.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 73.41 110.373 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.724 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -83.65 -12.47 55.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 72.35 109.952 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.02 HG21 HD11 ' A' ' 465' ' ' ILE . 5.4 pt -97.74 -32.11 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 75.11 109.278 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 143.42 -37.11 1.5 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 54.21 111.022 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.475 ' CG ' ' HB3' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -58.25 174.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 74.31 110.312 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 1.7 pttp -151.83 128.7 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 54.54 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 109' ' ' LEU . 8.2 mt -126.22 128.89 47.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 74.35 109.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.4 p -73.67 163.85 27.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 63.33 110.362 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 3.9 m-20 -54.07 -44.69 71.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 72.23 109.287 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.19 -21.29 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 70.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.606 ' HB3' HD22 ' A' ' 116' ' ' LEU . 8.4 mm-40 -81.29 -64.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 73.43 110.341 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.643 HG21 ' HB3' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -57.65 -50.62 76.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 74.02 109.307 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.518 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 14.7 t70 -54.8 -25.15 26.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 71.42 109.241 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.28 -25.45 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 73.34 109.305 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.576 ' HE1' HD11 ' A' ' 458' ' ' LEU . 38.0 ttm -72.23 -38.38 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 73.33 111.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 129' ' ' SER . 9.8 mt -65.14 -57.0 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 74.01 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 125' ' ' LEU . 34.5 mtt-85 -38.02 -29.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 75.21 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.7 mm-40 -48.26 -50.85 28.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.21 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.547 HG11 ' CB ' ' A' ' 142' ' ' ALA . 19.8 m -132.1 15.66 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 65.11 109.317 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 125' ' ' LEU . 38.3 p -105.45 4.88 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 75.22 109.982 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' SER . 26.4 t70 37.32 51.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 75.34 109.338 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 47.56 47.71 23.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 70.42 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' SER . 47.7 t -96.44 -69.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 50.51 109.982 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.43 -12.91 1.81 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 72.32 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.41 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 30.3 mt-10 -148.06 169.39 20.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 63.42 110.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.754 HD11 ' CD1' ' A' ' 105' ' ' LEU . 5.9 pt -137.6 130.52 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 73.31 109.353 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.461 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -99.32 -179.85 4.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 72.35 109.246 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.751 HG23 HE21 ' A' ' 138' ' ' GLN . 5.7 tp -49.69 -22.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 55.14 109.278 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.751 HE21 HG23 ' A' ' 137' ' ' ILE . 5.2 mm-40 -82.88 -56.03 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 71.53 110.314 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.656 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 26.3 mt-30 -68.52 -58.69 3.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 63.42 110.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 136' ' ' ASN . 12.5 t80 -43.3 -49.68 6.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 70.25 110.97 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.786 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -55.24 -35.28 64.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 72.5 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -52.53 -38.53 59.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 41.34 109.315 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 135' ' ' ILE . 55.2 mt -57.6 -54.2 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 74.02 109.325 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.747 ' N ' HD23 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -62.57 -13.55 32.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 71.11 109.27 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.66 55.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 73.43 109.973 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.424 ' O ' HG21 ' A' ' 150' ' ' THR . 0.0 OUTLIER -131.74 89.17 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 74.23 109.266 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.47 52.78 0.76 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 52.02 110.969 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.6 m -107.7 -41.4 5.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 62.41 109.983 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.06 15.71 22.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 55.24 110.028 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.488 HG22 ' CB ' ' A' ' 455' ' ' ARG . 25.1 p -100.25 -167.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 73.14 110.402 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.4 ' C ' ' OG1' ' A' ' 453' ' ' THR . . . 174.61 -64.39 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.089 . . . . 61.41 110.994 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 151' ' ' GLY . 5.2 m -155.15 23.17 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 72.01 110.414 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -138.54 -48.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.41 110.295 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.488 ' CB ' HG22 ' A' ' 150' ' ' THR . 11.3 mmt85 -78.37 -20.68 50.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 73.32 110.329 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.43 ' NZ ' ' OE2' ' A' ' 11' ' ' GLU . 4.9 ptmm? -74.49 -21.57 59.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 73.11 109.255 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -87.56 -19.71 27.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 71.33 109.247 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.576 HD11 ' HE1' ' A' ' 124' ' ' MET . 0.2 OUTLIER -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 61.32 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -60.73 -30.22 69.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 72.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.608 ' HA ' HD12 ' A' ' 463' ' ' LEU . 11.1 t30 -61.82 -37.33 84.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 74.44 109.324 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.78 ' O ' HD12 ' A' ' 465' ' ' ILE . 0.0 OUTLIER -51.6 -28.99 15.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 55.04 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.764 HG23 ' CE1' ' A' ' 92' ' ' PHE . 13.5 mt -89.28 -39.66 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.14 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 460' ' ' ASN . 94.8 mt -44.95 -44.51 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 62.22 109.349 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.969 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -70.4 -55.76 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 72.31 109.33 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.021 HG23 HD13 ' A' ' 39' ' ' LEU . 15.2 mt -48.29 -24.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 54.15 109.316 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.822 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -86.02 -69.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 63.25 109.262 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 468' ' ' VAL . 17.9 mttt -43.95 -66.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.14 109.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 464' ' ' ALA . 6.3 m -39.28 -33.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 63.55 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 466' ' ' ALA . 1.1 t -69.61 -56.42 7.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 64.34 109.978 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.471 ' CD ' ' HB ' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -54.08 -40.56 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 75.14 110.262 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.847 ' HE2' HD11 ' A' ' 51' ' ' LEU . 44.3 mtp -48.32 -29.12 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 65.51 110.958 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.58 ' HB2' ' HE3' ' A' ' 36' ' ' MET . 46.6 t80 -89.03 -23.16 22.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 72.43 110.999 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 470' ' ' ARG . 1.0 OUTLIER -92.01 -2.33 56.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 70.15 109.978 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.471 ' HB ' ' CD ' ' A' ' 470' ' ' ARG . 13.0 p -109.51 -47.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 63.3 109.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.49 -34.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 65.12 109.283 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 75.05 110.307 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.017 -0.833 . . . . 73.21 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 m -112.2 148.63 33.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 70.51 109.977 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -124.73 161.26 26.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 72.41 110.005 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.18 16.98 9.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 72.33 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.029 HD13 ' CE2' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -104.89 146.84 28.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.22 109.315 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.2 p -96.49 160.16 14.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 63.13 110.412 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -40.97 -39.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 75.34 110.264 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.495 ' CD ' ' CG2' ' A' ' 453' ' ' THR . 13.0 tp10 -68.11 -44.56 75.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 62.1 110.278 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' THR . 27.5 mm100 -56.88 -33.62 67.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 74.33 110.347 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 9' ' ' ILE . 1.9 mm -65.72 -22.09 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.21 109.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.18 -13.32 53.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 72.44 109.325 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 23.2 mt-10 -79.19 -62.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.22 110.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 1.029 ' CE2' HD13 ' A' ' 4' ' ' LEU . 34.8 m-85 -53.98 -23.66 14.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 65.25 110.99 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.9 mttt -54.44 -41.35 69.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 74.11 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 17' ' ' ALA . 18.8 mm-40 -71.44 -55.88 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 73.41 110.304 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.766 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -50.56 -23.02 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 64.15 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.603 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 12.2 t80 -79.7 -33.11 41.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 63.14 110.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -67.33 -20.7 65.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 72.13 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.743 HD21 ' HG3' ' A' ' 461' ' ' LYS . 43.2 mt -50.73 -37.77 43.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 75.35 109.281 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.648 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 14.1 m-85 -107.61 -52.25 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 74.31 111.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.603 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -47.04 94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 71.3 109.315 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.793 ' HE3' HG21 ' A' ' 34' ' ' THR . 9.2 mmtp -69.84 -66.84 0.54 Allowed 'General case' 0 C--O 1.215 -0.75 0 CA-C-O 123.643 1.687 . . . . 51.11 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.92 -10.13 59.72 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.908 -1.044 . . . . 73.12 109.984 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m120 59.66 59.84 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 60.02 109.292 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -99.58 -17.06 18.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 72.43 109.314 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 97.57 39.8 3.82 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 60.55 110.998 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.69 111.75 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.781 . . . . 71.31 109.999 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' ' 19' ' ' PHE . 63.0 mt -97.41 97.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 72.33 109.316 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -66.32 163.09 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 64.13 109.978 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.531 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 1.4 t -56.15 -18.0 8.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 63.11 109.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -24.29 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 63.03 110.004 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' A' ' 34' ' ' THR . 58.7 mt-10 -90.54 -28.65 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.42 110.349 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.106 HD22 HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -77.23 -47.46 20.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 74.11 109.275 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.702 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -68.19 -12.47 61.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 40.25 109.347 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.793 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.32 -25.35 63.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 73.14 110.435 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.574 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.0 t -91.35 -62.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 65.1 109.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.553 ' HE1' ' HB2' ' A' ' 472' ' ' PHE . 90.1 mtp -38.38 -50.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 64.03 110.979 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' A' ' 38' ' ' SER . 7.9 ptm180 -66.65 -39.18 88.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 62.42 110.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' VAL . 15.4 m -58.89 -24.56 62.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 70.21 110.006 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.031 HD13 HG23 ' A' ' 465' ' ' ILE . 16.0 mt -82.42 -19.69 38.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 63.44 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.99 2.93 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.145 . . . . 62.24 110.987 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.435 HD12 ' CA ' ' A' ' 36' ' ' MET . 15.5 mt -80.93 -176.19 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 73.25 109.255 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.455 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 70.7 m -162.44 61.43 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 73.32 110.016 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.0 145.25 31.19 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 44.23 111.022 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -90.56 140.46 29.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 41.13 109.976 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.3 tt0 -45.08 -28.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 73.11 110.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.58 -49.03 76.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 45.12 109.296 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HB3' HD21 ' A' ' 475' ' ' LEU . 0.7 OUTLIER -76.76 -51.35 11.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 72.41 110.271 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.106 HG13 HD22 ' A' ' 32' ' ' LEU . 54.4 t -40.35 -38.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 64.33 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 91.1 m-20 -63.47 -63.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 71.22 109.288 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -57.4 -17.31 12.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 72.53 109.281 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.649 HD11 ' HE3' ' A' ' 471' ' ' MET . 0.2 OUTLIER -78.41 -51.59 9.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 72.14 109.312 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.556 ' HB3' HD13 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -80.99 -11.68 59.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 74.2 110.943 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ASN . 5.9 m-80 -88.13 -7.62 56.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 60.15 109.28 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.562 ' O ' HD13 ' A' ' 55' ' ' ILE . 2.4 mm-40 -90.69 -7.43 52.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 72.43 110.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.86 HD12 HD13 ' A' ' 71' ' ' LEU . 5.0 mm -117.72 -48.01 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 74.25 109.272 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 1.2 t0 -39.08 114.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 72.35 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 67' ' ' GLU . 46.9 t -78.79 -7.05 10.09 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 CA-C-O 123.639 1.685 . . . . 63.34 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -123.64 -21.2 5.29 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 117.909 -1.043 . . . . 75.54 110.009 179.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.28 52.81 24.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 53.13 110.981 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 34.9 p-10 -100.97 13.03 36.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 53.24 109.274 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.644 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 51.3 t60 66.07 28.4 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 73.05 109.576 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 44.1 mt-30 -156.69 147.96 22.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 75.44 110.291 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.8 129.1 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.01 109.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.426 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -95.3 173.06 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 62.25 110.318 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.556 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.9 t80 -71.0 -12.98 61.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 75.35 110.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 t -92.3 -41.41 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 72.41 110.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.504 ' HG2' HG23 ' A' ' 57' ' ' VAL . 29.7 mt-10 -70.85 -48.76 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 73.55 110.328 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -57.13 -41.44 79.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 73.14 110.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.765 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -72.59 -33.19 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 61.42 109.326 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.46 -15.94 60.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.44 109.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.86 HD13 HD12 ' A' ' 55' ' ' ILE . 18.5 tp -72.56 -51.17 20.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 73.24 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.429 ' CE ' ' CD ' ' A' ' 467' ' ' LYS . 3.3 mmt -55.38 -32.42 62.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 72.14 111.004 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.475 ' HB2' HD21 ' A' ' 4' ' ' LEU . 7.3 t -89.78 18.4 5.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 62.21 109.971 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.1 21.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.32 110.344 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.569 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -113.78 -28.61 7.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 70.44 110.274 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 76' ' ' LEU . 3.1 mt -45.74 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 62.24 109.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt 55.86 19.18 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 74.45 109.307 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.5 t 58.85 16.22 4.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 65.42 109.996 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -125.02 1.62 7.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 53.13 109.332 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.9 t70 -98.17 -64.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 73.02 109.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.3 t -39.58 -28.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 74.32 109.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.46 ' N ' ' C ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -90.3 -43.09 10.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 62.34 110.295 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.644 HE21 HD21 ' A' ' 86' ' ' LEU . 4.3 mm-40 -78.44 -62.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 73.25 110.315 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -38.04 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 71.15 110.329 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.804 ' HB3' HD11 ' A' ' 137' ' ' ILE . 7.0 mt -66.99 -65.6 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 62.02 109.304 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.644 HD21 HE21 ' A' ' 83' ' ' GLN . 2.5 pp -57.58 -46.99 83.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 73.54 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.558 ' N ' HD12 ' A' ' 86' ' ' LEU . 31.0 mm-40 -52.6 -44.05 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 74.4 110.279 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -80.7 -23.71 39.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 65.14 109.306 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.475 ' HA ' HD11 ' A' ' 100' ' ' ILE . 9.1 t80 -67.46 -64.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 72.14 111.012 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -60.54 -34.55 74.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 71.44 109.326 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.3 t -58.24 -56.44 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 74.44 109.297 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.847 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.5 m-85 -63.75 -43.01 97.71 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.638 1.685 . . . . 64.31 111.044 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.63 98.8 1.97 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 117.953 -1.022 . . . . 74.12 109.949 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -30.02 21.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 72.25 109.301 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -78.23 -43.51 28.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 72.24 109.292 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.44 78.88 1.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 73.31 110.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.636 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.41 11.11 2.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 61.44 109.313 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.845 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.15 17.74 72.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.445 1.091 . . . . 74.22 110.963 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.4 mt -149.57 112.68 4.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 0.78 . . . . 74.24 109.339 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.64 HD13 ' CB ' ' A' ' 92' ' ' PHE . 61.9 mt -79.24 105.33 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 74.14 109.277 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.6 t -70.06 -176.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 62.14 109.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.657 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -54.78 -67.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 63.14 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -42.08 -65.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 51.31 109.259 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' ALA . 36.7 mt-10 -38.78 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 70.24 110.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.735 HD21 ' SD ' ' A' ' 124' ' ' MET . 2.7 tp -90.46 -72.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 61.32 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.873 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -46.23 -59.31 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 70.53 109.298 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.719 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.26 -38.27 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 63.44 109.576 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.847 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -73.36 -38.85 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 54.25 109.248 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.586 HD23 HG12 ' A' ' 108' ' ' VAL . 1.9 mt -67.38 -25.26 65.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 63.42 109.341 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 m -86.6 -10.42 53.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 63.1 110.404 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.777 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -84.67 -1.67 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 71.33 109.992 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.075 HG21 HD11 ' A' ' 465' ' ' ILE . 8.3 pt -112.53 -32.91 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 71.53 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.36 -32.25 1.38 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 50.4 111.006 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.598 ' HG3' ' HZ3' ' A' ' 461' ' ' LYS . 11.2 mm-40 -56.62 173.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 64.23 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -159.36 116.13 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 72.11 109.313 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.696 HD13 ' HE3' ' A' ' 124' ' ' MET . 41.8 mt -127.68 137.51 52.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 63.12 109.3 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 120' ' ' GLU . 25.2 p -69.58 151.31 46.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 75.32 110.396 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -51.59 -23.67 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 72.51 109.319 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.32 -31.3 21.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 61.55 109.283 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.518 ' HB3' HD22 ' A' ' 116' ' ' LEU . 12.9 mm-40 -75.15 -28.5 60.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 75.54 110.258 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.953 ' O ' HD22 ' A' ' 125' ' ' LEU . 9.2 p -84.81 -53.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 64.24 109.291 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.541 ' N ' HG13 ' A' ' 121' ' ' VAL . 7.4 t0 -49.47 -22.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 71.22 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 121' ' ' VAL . 4.1 t70 -90.86 -32.51 16.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 64.32 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.735 ' SD ' HD21 ' A' ' 105' ' ' LEU . 27.9 ttm -60.64 -33.39 72.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 75.24 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.953 HD22 ' O ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -69.33 -53.8 17.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 73.14 109.323 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 125' ' ' LEU . 17.2 mtt180 -35.18 -33.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 71.42 110.274 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.9 mm-40 -41.99 -50.73 4.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 64.12 110.276 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.519 HG11 ' CB ' ' A' ' 142' ' ' ALA . 34.2 m -132.79 10.51 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 65.45 109.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.2 p -95.34 10.99 34.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 64.34 110.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.0 t70 45.74 39.14 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 71.51 109.264 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.2 35.05 91.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 74.55 110.975 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' SER . 89.9 p -95.06 -80.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 72.25 110.002 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.56 -22.14 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 42.25 111.0 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 25.5 mt-10 -117.85 176.66 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 75.12 110.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.556 HD11 HD13 ' A' ' 105' ' ' LEU . 2.5 pt -149.91 121.73 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.55 109.344 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.555 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -87.46 174.81 8.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 73.24 109.304 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.804 HD11 ' HB3' ' A' ' 85' ' ' LEU . 5.3 tp -47.42 -24.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.11 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.49 ' NE2' HG23 ' A' ' 137' ' ' ILE . 3.7 mm-40 -83.95 -57.66 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 71.35 110.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.695 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 23.0 mt-30 -62.77 -56.07 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 73.33 110.276 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.436 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 38.4 t80 -43.1 -48.91 6.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 63.33 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.409 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -61.96 -32.79 73.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 73.22 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -48.84 -44.35 39.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 54.01 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -41.51 80.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 75.32 109.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.57 ' N ' HD23 ' A' ' 144' ' ' LEU . 3.2 mt -70.58 -20.67 62.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 73.33 109.302 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 142' ' ' ALA . 3.5 m -134.86 54.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 72.52 109.967 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 142' ' ' ALA . 0.1 OUTLIER -177.25 113.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 62.23 109.308 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -142.72 77.14 0.29 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 44.43 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 10.2 t -72.01 -54.41 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 0.725 . . . . 62.34 109.953 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.1 m -90.69 36.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 74.14 109.989 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.422 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 11.9 p -121.96 -175.99 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 51.44 110.406 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 174.93 -66.26 0.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.47 1.106 . . . . 65.11 110.965 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.495 ' CG2' ' CD ' ' A' ' 7' ' ' GLU . 2.5 m -149.72 20.12 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 55.41 110.356 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.52 -47.05 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 74.34 110.309 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.422 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 14.0 mmt180 -81.14 -23.81 38.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 65.45 110.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.446 ' CD ' ' HA ' ' A' ' 453' ' ' THR . 0.2 OUTLIER -57.81 -26.36 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 70.45 109.337 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -85.47 -19.98 30.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 70.43 109.289 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -52.8 58.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.44 109.3 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.441 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 2.4 ptp85 -66.77 -25.81 66.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 71.5 110.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.782 ' HA ' HD22 ' A' ' 463' ' ' LEU . 14.8 t30 -67.83 -29.9 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 51.21 109.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.743 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -56.45 -27.0 55.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 64.12 109.287 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.702 HG23 ' CE1' ' A' ' 92' ' ' PHE . 8.6 mt -88.77 -32.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.5 109.258 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.782 HD22 ' HA ' ' A' ' 460' ' ' ASN . 1.0 OUTLIER -49.94 -43.53 50.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 73.13 109.309 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.766 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -70.33 -61.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 75.23 109.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.075 HD11 HG21 ' A' ' 112' ' ' ILE . 22.9 mt -47.92 -24.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 63.22 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -83.24 -71.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.092 . . . . 75.51 109.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 470' ' ' ARG . 16.8 mttp -51.85 -63.05 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 73.05 109.308 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.648 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 58.4 t -38.75 -44.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 44.41 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 16.8 t -66.69 -46.88 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 75.12 110.035 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.5 tmt_? -55.2 -43.79 74.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.22 110.288 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.649 ' HE3' HD11 ' A' ' 51' ' ' LEU . 5.0 mtm -46.8 -23.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 74.43 111.005 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 7.2 t80 -88.51 -30.45 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 55.32 110.993 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 470' ' ' ARG . 3.6 t -85.15 -2.32 57.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 52.32 110.017 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 471' ' ' MET . 10.8 p -111.05 -48.89 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 74.14 109.317 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.1 OUTLIER -40.45 -36.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 73.45 109.308 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 70.3 110.289 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.013 -0.835 . . . . 70.3 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t -44.66 111.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 72.35 109.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -121.65 144.67 48.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 74.53 110.024 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -135.49 69.5 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 70.31 109.305 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 12' ' ' PHE . 2.9 mt -113.73 178.77 4.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 71.43 109.29 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p -123.71 166.16 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 62.34 110.424 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -52.13 -33.65 40.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 73.12 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.72 -27.19 63.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 65.23 110.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -75.4 -39.28 59.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.03 110.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.163 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.7 mm -63.75 -21.33 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 73.44 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.29 -12.61 60.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 64.12 109.257 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 5.8 mm-40 -84.53 -70.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 53.02 110.315 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' CE2' HD13 ' A' ' 4' ' ' LEU . 63.9 m-85 -40.67 -28.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 74.11 111.01 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mttt -47.37 -48.53 25.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 63.32 109.324 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -58.04 -37.07 73.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 75.44 110.321 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.649 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -72.47 -15.44 61.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 70.22 109.272 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.9 t80 -82.54 -37.05 25.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 72.42 111.014 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -21.02 66.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 75.21 109.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.899 HD21 ' HG3' ' A' ' 461' ' ' LYS . 54.1 mt -49.09 -42.67 39.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 75.43 109.32 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' HZ ' HG11 ' A' ' 468' ' ' VAL . 18.6 m-85 -106.5 -51.44 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 72.4 111.025 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.582 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.78 92.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 64.32 109.272 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.605 ' HE3' HG21 ' A' ' 34' ' ' THR . 41.3 mmtt -70.52 -65.06 0.78 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 123.633 1.682 . . . . 72.2 109.316 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -75.91 -6.17 49.58 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 117.905 -1.045 . . . . 71.22 109.962 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 49.24 56.91 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 73.4 109.294 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 17.0 p-10 -90.06 -20.93 22.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 65.44 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.14 30.34 3.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 73.1 111.025 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.77 111.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 74.5 110.002 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 47.4 mt -86.56 107.81 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 75.25 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 p -67.37 172.34 5.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 72.13 109.999 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.45 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -72.53 -34.24 67.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 64.35 110.03 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -20.44 61.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 71.3 109.996 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.655 ' O ' HG22 ' A' ' 34' ' ' THR . 46.3 mt-10 -90.71 -46.33 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 75.02 110.276 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.01 HD22 HG13 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -59.26 -41.87 89.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.25 109.345 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.637 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -72.59 -12.32 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 70.5 109.336 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -70.35 -30.45 67.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 74.13 110.384 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.54 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -87.62 -55.89 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 73.44 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.542 ' HE3' ' HB2' ' A' ' 472' ' ' PHE . 68.2 mtp -38.73 -56.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 75.22 111.004 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 5.3 ptp180 -62.82 -35.12 78.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 61.24 110.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -55.85 -36.79 67.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 52.15 110.035 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.958 HD13 HG23 ' A' ' 465' ' ' ILE . 11.6 mt -71.63 -19.12 62.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 53.54 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.34 5.8 9.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.548 1.155 . . . . 64.01 110.968 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.401 HD11 ' OG ' ' A' ' 469' ' ' SER . 17.0 mt -81.53 -174.48 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 73.44 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.462 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 20.1 t -163.32 61.41 1.03 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 51.33 110.036 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.556 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.99 147.91 34.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 62.02 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -91.91 140.46 29.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 61.4 110.025 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 30.3 tt0 -46.22 -28.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 75.13 110.274 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.83 77.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 65.11 109.292 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' HB3' HD21 ' A' ' 475' ' ' LEU . 2.5 mm-40 -75.2 -51.36 13.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 54.2 110.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.01 HG13 HD22 ' A' ' 32' ' ' LEU . 51.8 t -40.59 -39.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 70.14 109.298 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 93.0 m-20 -65.02 -61.36 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 70.54 109.312 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -15.14 11.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 73.02 109.26 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -78.22 -55.94 4.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 75.53 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.543 ' CB ' HD11 ' A' ' 63' ' ' ILE . 8.0 ptm -77.75 -14.59 59.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 74.12 111.032 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 8.0 m-20 -82.55 -9.81 59.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 73.44 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.485 ' C ' HD13 ' A' ' 55' ' ' ILE . 47.3 mt-10 -85.7 -12.84 50.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 72.35 110.3 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.875 HG21 ' HB2' ' A' ' 71' ' ' LEU . 1.9 mm -117.52 -38.25 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 64.12 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.2 t0 -37.37 114.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 72.23 109.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 89.5 t -90.27 -17.32 8.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 123.642 1.687 . . . . 44.23 109.364 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 47.4 p-10 -109.57 -6.17 15.47 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.892 -1.051 . . . . 60.13 109.965 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 54.69 42.41 77.63 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 73.14 111.045 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.405 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 39.9 p-10 -97.25 12.37 33.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 71.44 109.327 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.67 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 29.8 t60 64.97 30.65 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 71.23 109.648 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 38.9 mt-30 -150.48 -177.77 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 74.31 110.322 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.543 HD11 ' CB ' ' A' ' 52' ' ' MET . 0.3 OUTLIER -130.14 126.45 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 72.02 109.326 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.07 175.29 6.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 75.25 110.319 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 1.163 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 4.6 t80 -75.93 -10.57 59.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.04 111.033 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.533 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 58.7 m -95.16 -28.75 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 74.33 109.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 11.1 mt-10 -87.82 -48.62 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 62.23 110.259 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -59.05 -43.06 91.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 72.31 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.1 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -70.16 -24.64 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 63.14 109.338 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.1 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -86.13 -15.38 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 65.25 109.339 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.974 HD21 ' SD ' ' A' ' 471' ' ' MET . 8.9 tp -71.31 -50.09 36.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 62.32 109.277 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -56.55 -16.76 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 70.4 110.993 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -100.98 -16.39 17.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 65.23 109.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -117.67 53.65 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.34 110.313 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.494 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -144.49 -64.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 72.22 110.311 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 80' ' ' ASP . 4.0 mp -65.69 133.57 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 75.11 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -117.41 -87.41 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 74.24 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.1 t -78.31 -90.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 71.12 109.992 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.43 ' HB2' ' CB ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -72.06 68.18 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 54.51 109.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.643 ' HB3' HD23 ' A' ' 76' ' ' LEU . 33.9 m-20 -48.07 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.23 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.8 t -37.54 -60.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 75.32 110.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' CB ' ' HB2' ' A' ' 79' ' ' ASN . 1.9 mt-10 -36.67 -46.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 73.33 110.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.617 HE21 HD21 ' A' ' 86' ' ' LEU . 2.1 mm-40 -62.48 -61.68 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 65.45 110.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.579 ' OE1' HD23 ' A' ' 463' ' ' LEU . 0.3 OUTLIER -61.12 -11.71 9.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.15 110.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.058 HD22 HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -84.09 -61.83 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 75.43 109.319 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.617 HD21 HE21 ' A' ' 83' ' ' GLN . 2.9 pp -59.69 -35.46 74.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 64.22 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.524 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 28.3 mm-40 -66.56 -36.54 82.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 72.13 110.33 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.903 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -90.18 -12.87 36.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 65.11 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' LEU . 16.6 t80 -75.69 -63.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 75.24 110.988 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -10.0 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.22 109.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 1.8 t -84.0 -47.28 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 72.14 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.796 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.9 m-85 -73.93 -38.51 64.26 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.596 1.665 . . . . 74.43 111.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.12 102.18 4.83 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.928 -1.034 . . . . 72.41 110.0 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.08 -32.83 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 75.23 109.269 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.99 -44.51 30.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 72.52 109.288 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.58 75.92 1.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 74.45 111.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.64 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -130.63 4.69 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 71.12 109.297 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 136' ' ' ASN . . . 81.11 6.09 89.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 61.05 110.96 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.792 HD23 ' HB3' ' A' ' 136' ' ' ASN . 1.4 mt -142.31 121.32 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 45.4 109.277 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.596 HD13 ' CB ' ' A' ' 92' ' ' PHE . 53.9 mt -83.71 107.09 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 41.12 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.4 t -70.13 174.29 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 71.31 110.023 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.557 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -50.91 -66.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 75.15 109.256 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.469 ' C ' ' N ' ' A' ' 105' ' ' LEU . . . -43.77 -64.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 75.24 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 100' ' ' ILE . 79.3 mt-10 -41.03 -25.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 75.21 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.74 ' CD1' HD11 ' A' ' 135' ' ' ILE . 1.0 OUTLIER -94.46 -73.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 75.12 109.325 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.49 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -42.69 -56.45 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 71.3 109.323 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.66 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -48.63 -36.66 16.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 72.42 109.595 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.796 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -73.04 -42.11 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 64.42 109.252 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.577 HD23 HD23 ' A' ' 105' ' ' LEU . 1.1 mm? -61.07 -34.91 75.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 65.55 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -76.16 -30.37 58.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 73.45 110.371 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -14.24 29.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 63.11 109.974 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.812 HG21 HD11 ' A' ' 465' ' ' ILE . 16.7 pt -110.63 -33.15 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 75.14 109.323 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.22 -39.16 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.455 1.097 . . . . 75.52 111.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.472 ' CB ' HD12 ' A' ' 109' ' ' LEU . 20.9 mm-40 -50.28 114.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 64.21 110.318 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -113.28 97.99 6.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 72.4 109.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 120' ' ' GLU . 5.5 mp -113.13 142.69 45.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 74.43 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLU . 20.9 p -70.85 148.24 48.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 62.33 110.388 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -43.84 -29.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 64.04 109.318 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 117' ' ' THR . . . -80.25 -46.73 15.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 55.31 109.26 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.542 ' HB3' HD23 ' A' ' 116' ' ' LEU . 45.8 mm-40 -55.02 -45.33 75.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 63.24 110.342 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 122' ' ' ASP . 7.6 p -72.64 -53.63 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 73.05 109.259 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.553 ' N ' HG13 ' A' ' 121' ' ' VAL . 8.0 t70 -49.32 -23.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 74.33 109.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 121' ' ' VAL . 1.5 t70 -90.92 -33.92 15.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 73.12 109.281 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 121' ' ' VAL . 27.1 ttm -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 70.3 110.97 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' A' ' 102' ' ' ALA . 6.1 mt -70.0 -52.14 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.03 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 125' ' ' LEU . 34.7 mtt180 -36.99 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 72.22 110.318 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 125' ' ' LEU . 51.1 mt-10 -46.54 -50.63 16.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 71.01 110.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.517 HG11 ' CB ' ' A' ' 142' ' ' ALA . 21.1 m -132.82 14.98 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 71.35 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.4 p -99.12 -13.61 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 64.42 110.011 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 46.3 t0 59.05 24.97 13.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 64.23 109.314 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.82 -5.78 60.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 34.14 110.999 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' A' ' 133' ' ' GLY . 24.0 p -45.91 -68.61 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 74.21 110.004 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.484 ' N ' ' OG ' ' A' ' 132' ' ' SER . . . 138.27 -7.84 3.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 73.42 111.011 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.452 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 23.3 mt-10 -147.39 158.24 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 70.2 110.3 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.74 HD11 ' CD1' ' A' ' 105' ' ' LEU . 4.0 pt -125.39 122.48 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.12 109.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.792 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.12 177.63 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 72.52 109.292 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.716 HD12 HD12 ' A' ' 85' ' ' LEU . 8.8 tp -49.56 -22.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 61.42 109.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 136' ' ' ASN . 2.8 mm-40 -84.61 -56.87 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 60.21 110.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.638 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 25.5 mt-30 -66.01 -57.26 8.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 73.33 110.296 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 85' ' ' LEU . 17.2 t80 -44.74 -46.11 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 64.23 110.998 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.757 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -58.82 -33.35 70.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 42.33 109.305 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -51.82 -43.43 63.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 71.44 109.26 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.0 -45.71 87.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 72.1 109.346 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.058 HD12 HD22 ' A' ' 85' ' ' LEU . 7.9 mt -70.9 -6.98 42.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.24 109.25 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 m -145.66 49.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 75.32 109.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 142' ' ' ALA . 7.5 tptm -90.3 -80.55 0.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 72.33 109.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.21 72.63 0.79 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.13 . . . . 71.03 111.017 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.4 p -155.68 129.79 8.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 52.51 109.971 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 12.6 m 39.66 59.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 73.53 110.013 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.552 HG22 ' HB2' ' A' ' 455' ' ' ARG . 27.2 p -106.61 -64.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 73.43 110.404 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 453' ' ' THR . . . 68.98 26.87 74.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 64.22 110.989 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 151' ' ' GLY . 1.4 m 83.04 30.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 70.42 110.387 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 -124.36 -41.62 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 53.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.552 ' HB2' HG22 ' A' ' 150' ' ' THR . 49.2 mmt-85 -89.55 -34.81 16.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 74.41 110.339 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.525 ' CB ' ' NH2' ' A' ' 459' ' ' ARG . 0.0 OUTLIER -61.32 -17.81 55.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.03 109.29 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -91.88 -15.87 27.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 71.53 109.304 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.6 OUTLIER -69.13 -45.37 70.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 74.1 109.267 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.525 ' NH2' ' CB ' ' A' ' 456' ' ' LYS . 1.3 ptp85 -74.08 -26.24 60.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 73.23 110.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.598 ' HA ' HD12 ' A' ' 463' ' ' LEU . 10.1 t30 -62.14 -34.3 76.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 75.24 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.899 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -60.03 -26.4 66.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 75.52 109.313 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.65 HG23 ' HE1' ' A' ' 92' ' ' PHE . 15.8 mt -89.65 -37.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 71.33 109.345 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 460' ' ' ASN . 93.0 mt -42.41 -46.73 4.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 75.34 109.254 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.899 ' O ' HG22 ' A' ' 468' ' ' VAL . . . -70.46 -59.71 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 75.32 109.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.958 HG23 HD13 ' A' ' 39' ' ' LEU . 90.1 mt -39.29 -31.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 65.3 109.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.903 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -85.98 -70.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 63.41 109.271 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 469' ' ' SER . 6.5 mttp -42.93 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 74.11 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 464' ' ' ALA . 4.5 m -38.49 -31.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 71.33 109.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -77.6 -52.86 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 72.13 110.027 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -53.41 -42.9 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 73.34 110.308 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.974 ' SD ' HD21 ' A' ' 71' ' ' LEU . 4.7 mtp -49.46 -22.46 1.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 61.23 111.017 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 11.0 t80 -90.13 -26.79 20.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 72.54 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 470' ' ' ARG . 0.9 OUTLIER -90.75 -3.42 57.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 70.01 109.968 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 471' ' ' MET . 8.8 p -106.52 -49.76 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 74.31 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.471 ' N ' HG13 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -41.81 -36.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 63.21 109.311 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.41 110.304 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.024 -0.83 . . . . 64.41 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.7 m -107.47 -178.58 3.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 51.33 110.0 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 p -39.39 117.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 72.35 109.958 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -89.15 44.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 74.13 109.295 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.676 HD13 ' CE2' ' A' ' 12' ' ' PHE . 2.5 mt -122.8 155.37 36.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 75.4 109.261 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.6 p -106.24 161.96 14.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 74.44 110.393 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -47.54 -29.71 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 74.51 110.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.82 -33.68 57.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 72.12 110.252 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' THR . 26.2 mm100 -69.41 -37.13 77.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 70.24 110.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.148 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -63.19 -20.29 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.24 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.03 -15.48 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 73.32 109.279 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 34.2 mt-10 -81.36 -62.06 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 70.12 110.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.676 ' CE2' HD13 ' A' ' 4' ' ' LEU . 62.9 m-85 -51.35 -19.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 73.41 111.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.3 mttt -56.15 -46.26 79.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 72.04 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.625 ' CD ' ' HB1' ' A' ' 457' ' ' ALA . 13.3 mt-10 -57.82 -31.13 66.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 61.33 110.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.912 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -77.52 -16.27 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 64.45 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.469 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 16.4 t80 -83.75 -34.46 24.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 54.43 110.994 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.86 -19.48 65.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 63.44 109.255 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.75 HD21 ' HG2' ' A' ' 461' ' ' LYS . 47.0 mt -52.31 -38.62 59.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 72.1 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.8 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 26.4 m-85 -106.45 -51.82 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 62.25 110.999 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -51.01 92.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 75.21 109.251 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.616 ' CE ' HG21 ' A' ' 34' ' ' THR . 24.2 mmtt -68.58 -67.68 0.45 Allowed 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 123.665 1.698 . . . . 70.04 109.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -76.23 -15.24 60.07 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 117.901 -1.047 . . . . 71.33 109.983 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 62.62 63.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 71.21 109.299 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.7 p30 -97.16 -15.64 20.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 53.31 109.293 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 100.16 31.64 5.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 63.11 111.057 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.34 111.67 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 74.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 31.8 mt -89.11 104.72 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 72.21 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -69.56 179.68 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.0 109.96 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.29 -37.25 74.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 73.02 109.991 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -19.34 62.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 64.5 109.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 34' ' ' THR . 34.5 mt-10 -90.48 -47.71 7.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 74.11 110.269 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.928 HD22 HG13 ' A' ' 48' ' ' VAL . 3.4 tt -59.41 -50.4 74.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 60.4 109.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.579 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -66.13 -12.42 55.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 72.34 109.275 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.616 HG21 ' CE ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -70.43 -27.52 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 73.42 110.364 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -90.25 -53.95 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 61.22 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.651 ' CE ' HD13 ' A' ' 41' ' ' LEU . 81.5 mmm -42.0 -51.08 4.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.33 111.026 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' SER . 16.9 ptp180 -65.44 -40.27 93.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 73.5 110.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 72.5 m -54.73 -29.42 53.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 63.32 109.998 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.076 HD13 HG23 ' A' ' 465' ' ' ILE . 14.0 mt -81.46 -21.85 38.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 72.21 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.01 3.35 8.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 75.42 111.017 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.651 HD13 ' CE ' ' A' ' 36' ' ' MET . 16.5 mt -78.7 -175.72 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 64.55 109.273 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.468 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.3 t -162.56 61.1 1.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.04 110.001 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.03 142.71 28.1 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 75.33 111.001 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.99 141.85 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 71.41 109.953 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 36.6 tt0 -44.48 -30.08 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 75.42 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.99 -50.55 73.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 65.33 109.291 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.508 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.2 mt-10 -77.41 -51.33 10.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 70.55 110.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.928 HG13 HD22 ' A' ' 32' ' ' LEU . 73.0 t -40.61 -34.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 74.4 109.284 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' ASN . 88.0 m-20 -66.17 -66.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 72.15 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -54.09 -18.8 4.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 73.34 109.272 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 471' ' ' MET . 0.2 OUTLIER -76.09 -55.67 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 72.12 109.338 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 49' ' ' ASN . 10.4 ptm -79.95 -8.17 59.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 62.44 111.017 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' ASN . 3.1 m-80 -88.21 -8.26 55.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.45 109.324 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 1.018 ' C ' HD13 ' A' ' 55' ' ' ILE . 1.3 mt-10 -92.99 -9.13 41.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 55.32 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 1.018 HD13 ' C ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -114.85 -43.7 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 74.33 109.313 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.485 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 6.4 t0 -37.6 113.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 73.44 109.298 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.472 HG12 ' OE1' ' A' ' 67' ' ' GLU . 2.1 p -93.96 -26.69 4.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-O 123.645 1.688 . . . . 65.51 109.278 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 55.1 p30 -94.86 -9.8 33.24 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.937 -1.03 . . . . 73.11 109.996 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 63.85 38.99 96.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 40.54 110.972 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.485 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 33.6 p-10 -101.16 21.3 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 70.14 109.331 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 59.2 t-80 51.49 43.85 29.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 70.14 109.573 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 41.5 mt-30 -159.06 179.79 8.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 75.4 110.265 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.16 124.48 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.31 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 10.7 mt-10 -96.48 174.48 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.44 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 1.148 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 2.9 t80 -75.39 -11.57 60.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 75.12 111.041 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 8.6 t -91.07 -32.57 15.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.1 109.981 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.472 ' OE1' HG12 ' A' ' 57' ' ' VAL . 6.1 mt-10 -85.5 -47.57 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.21 110.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -58.66 -43.53 89.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 74.22 111.028 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.095 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -74.28 -21.4 59.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 73.14 109.313 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.095 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -84.53 -15.45 45.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 64.41 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.551 ' CD1' HD12 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -76.97 -53.62 7.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 72.24 109.272 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -46.81 -22.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.42 111.004 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -114.17 37.93 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 64.24 109.999 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LEU . 4.5 ttt-85 -144.11 -48.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.31 110.259 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.503 ' CG ' ' HG ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -59.02 -73.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 65.42 110.32 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.852 HD11 ' CE ' ' A' ' 467' ' ' LYS . 1.6 mp -44.57 135.08 5.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 73.43 109.306 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -126.82 -87.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 75.21 109.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.3 p -81.01 -87.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 62.34 109.992 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.421 ' HB2' ' CB ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -74.75 60.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 74.31 109.262 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.467 ' HA ' ' HB3' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -46.13 -89.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 74.21 109.299 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.503 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -37.45 -60.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 71.24 110.037 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 79' ' ' ASN . 1.8 mt-10 -39.48 -41.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 71.42 110.275 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' ASP . 3.8 tp60 -65.73 -65.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 64.31 110.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' CG ' ' HA ' ' A' ' 81' ' ' SER . 7.6 pt-20 -55.98 -16.14 4.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 70.12 110.347 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.81 ' HG ' ' HB2' ' A' ' 141' ' ' ALA . 0.4 OUTLIER -75.31 -67.28 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 75.41 109.293 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 87' ' ' GLU . 3.7 pp -57.15 -43.5 82.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.44 109.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.451 ' N ' HD12 ' A' ' 86' ' ' LEU . 32.0 mm-40 -56.48 -39.53 73.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 61.31 110.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.848 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -90.99 -12.34 36.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 75.2 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 85' ' ' LEU . 48.4 t80 -71.87 -55.64 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 75.34 111.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -1.24 21.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 65.34 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -96.3 -35.72 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 74.42 109.293 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.795 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.6 m-85 -86.48 -35.36 19.67 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 123.634 1.683 . . . . 72.22 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -76.09 101.06 5.17 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 117.897 -1.049 . . . . 71.55 109.948 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -31.97 19.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 73.43 109.276 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.31 -51.04 12.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 73.24 109.271 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 94.26 67.72 1.04 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 74.32 111.011 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.681 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -127.15 3.0 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 60.31 109.317 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.877 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 77.58 18.09 78.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 52.05 111.036 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.877 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.0 mt -149.88 115.84 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 74.41 109.319 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.624 HD13 ' CB ' ' A' ' 92' ' ' PHE . 55.9 mt -79.61 103.61 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 75.24 109.32 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 133' ' ' GLY . 38.7 t -72.06 173.4 8.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 63.03 110.028 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.633 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -45.63 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 71.24 109.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' C ' ' N ' ' A' ' 105' ' ' LEU . . . -41.68 -66.39 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 74.44 109.349 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -40.69 -27.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 65.13 110.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.776 HD12 ' HE2' ' A' ' 92' ' ' PHE . 41.9 tp -90.56 -73.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 63.31 109.339 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.554 ' CB ' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.44 -61.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 75.12 109.286 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.694 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.53 -41.98 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 71.1 109.616 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.795 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.7 t -68.95 -39.56 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 71.21 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.041 HD12 HD12 ' A' ' 116' ' ' LEU . 1.1 mt -61.8 -37.51 84.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.43 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.914 HG23 ' HG2' ' A' ' 115' ' ' LYS . 52.1 m -75.13 -8.04 55.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 75.13 110.377 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.722 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -84.34 -19.63 33.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 64.45 110.023 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.027 HG21 HD11 ' A' ' 465' ' ' ILE . 5.8 pt -92.47 -26.05 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 75.34 109.292 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 129.13 1.09 5.82 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.488 1.117 . . . . 72.45 111.031 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.826 ' OE1' HD13 ' A' ' 109' ' ' LEU . 3.6 pt-20 -112.05 121.81 46.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 54.35 110.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.914 ' HG2' HG23 ' A' ' 110' ' ' THR . 5.2 mtmm -109.87 110.64 21.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 74.23 109.318 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 1.041 HD12 HD12 ' A' ' 109' ' ' LEU . 75.3 mt -96.75 138.02 34.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 61.22 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' GLU . 45.4 p -60.47 145.25 49.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 64.43 110.399 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 2.0 m-20 -42.68 -33.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 75.14 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 123' ' ' ASP . . . -77.82 -45.02 25.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 73.52 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' THR . 17.3 mm-40 -54.24 -44.08 71.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 41.25 110.331 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' A' ' 106' ' ' LYS . 7.9 p -78.5 -52.31 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 55.52 109.283 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.558 ' HA ' HD12 ' A' ' 125' ' ' LEU . 23.0 t70 -55.85 -21.19 18.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 61.12 109.308 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 119' ' ' ALA . 7.1 t0 -91.22 -36.0 14.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 63.43 109.302 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.527 ' O ' HD21 ' A' ' 143' ' ' LEU . 18.5 ttm -61.6 -32.77 72.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 71.15 111.036 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.633 HD11 ' HA ' ' A' ' 102' ' ' ALA . 4.7 mt -68.89 -56.99 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 65.33 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 125' ' ' LEU . 25.6 mtt-85 -37.3 -30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 74.31 110.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.4 mm-40 -45.9 -50.69 14.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 71.5 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.655 HG11 ' CB ' ' A' ' 142' ' ' ALA . 31.0 m -132.7 13.67 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 61.32 109.34 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.0 p -98.47 8.27 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 71.23 110.003 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 129' ' ' SER . 27.4 t70 39.58 45.2 1.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 72.34 109.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 54.04 45.71 71.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 23.03 110.985 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 129' ' ' SER . 40.8 t -101.71 -74.17 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.767 . . . . 74.11 110.011 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 101' ' ' SER . . . 147.07 -15.17 1.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 64.3 110.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -134.56 156.71 48.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 55.21 110.339 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.422 ' HB ' ' N ' ' A' ' 140' ' ' PHE . 2.4 pt -127.53 113.76 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 71.23 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.61 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -70.89 -173.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 62.4 109.313 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.658 HD12 HD12 ' A' ' 85' ' ' LEU . 4.7 tp -60.58 -24.54 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 73.41 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.455 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 4.2 mm-40 -83.74 -57.11 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 74.33 110.303 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.574 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 24.4 mt-30 -59.39 -53.84 53.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 55.13 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.494 ' CD2' HD13 ' A' ' 85' ' ' LEU . 11.4 t80 -47.55 -37.27 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.45 111.01 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.81 ' HB2' ' HG ' ' A' ' 85' ' ' LEU . . . -74.06 -28.71 61.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 73.02 109.339 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.655 ' CB ' HG11 ' A' ' 128' ' ' VAL . . . -53.76 -47.11 71.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 61.45 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.527 HD21 ' O ' ' A' ' 124' ' ' MET . 0.8 OUTLIER -58.63 -42.06 87.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 72.14 109.285 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.776 HD12 HD22 ' A' ' 85' ' ' LEU . 4.6 mt -68.1 -14.89 63.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 73.22 109.27 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' ALA . 0.3 OUTLIER -142.11 51.45 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 43.25 110.011 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 142' ' ' ALA . 9.2 tptt -176.72 112.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 74.31 109.285 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.472 ' HA3' HG21 ' A' ' 150' ' ' THR . . . -146.7 92.66 0.15 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.553 1.158 . . . . 72.42 110.956 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.25 -54.68 10.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 72.45 109.985 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.7 p -91.2 34.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 72.03 109.999 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.545 HG22 ' CB ' ' A' ' 455' ' ' ARG . 34.3 p -111.71 -177.54 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 72.11 110.406 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.429 ' O ' ' CE ' ' A' ' 456' ' ' LYS . . . 170.05 -71.07 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 32.34 111.022 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 5.4 m -142.83 14.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 72.21 110.346 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.81 -50.16 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 73.31 110.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.545 ' CB ' HG22 ' A' ' 150' ' ' THR . 44.2 mmt-85 -78.71 -19.76 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 72.4 110.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.448 ' HA ' ' NH2' ' A' ' 459' ' ' ARG . 4.5 ptpt -61.95 -27.76 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 73.44 109.315 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . 0.625 ' HB1' ' CD ' ' A' ' 14' ' ' GLU . . . -82.76 -19.22 38.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 74.23 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.507 HD11 ' HE1' ' A' ' 124' ' ' MET . 0.2 OUTLIER -64.72 -59.35 4.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 75.31 109.317 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.73 ' O ' HD13 ' A' ' 463' ' ' LEU . 2.0 ptp85 -59.44 -25.4 64.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 72.22 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.481 ' OD1' ' HB2' ' A' ' 15' ' ' ALA . 6.9 t30 -70.74 -32.22 69.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 64.33 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.75 ' HG2' HD21 ' A' ' 18' ' ' LEU . 2.9 ttmt -56.88 -26.24 58.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 75.12 109.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.784 HG23 ' CE1' ' A' ' 92' ' ' PHE . 39.9 mt -89.51 -29.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 73.45 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.758 ' HG ' ' HZ2' ' A' ' 467' ' ' LYS . 6.3 mp -52.76 -59.71 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 73.52 109.24 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.912 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -51.89 -58.14 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 51.33 109.311 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.076 HG23 HD13 ' A' ' 39' ' ' LEU . 43.1 mt -44.56 -26.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 72.43 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.848 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -85.89 -72.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 74.44 109.346 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.852 ' CE ' HD11 ' A' ' 76' ' ' LEU . 1.7 mptt -44.22 -64.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 63.53 109.291 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.8 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 34.3 t -44.93 -45.26 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.43 109.327 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 12.1 t -64.25 -32.62 74.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 74.51 109.97 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.5 OUTLIER -71.58 -40.56 69.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 74.43 110.281 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.598 ' HB3' HD21 ' A' ' 51' ' ' LEU . 5.3 mtm -47.46 -28.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 64.23 111.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 13.7 t80 -88.25 -26.02 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 73.11 111.048 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 470' ' ' ARG . 4.1 m -89.09 -2.07 58.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 62.5 110.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 475' ' ' LEU . 11.7 p -111.34 -48.57 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 65.52 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -39.17 -36.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 62.25 109.308 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 52.33 110.327 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.957 -0.857 . . . . 32.54 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 98.3 p -143.12 138.38 29.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 72.32 109.97 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -122.56 152.19 40.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 51.52 109.966 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.06 35.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 72.53 109.266 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.857 HD13 ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -98.81 146.8 25.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 75.11 109.285 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 p -94.76 170.32 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 53.14 110.414 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -56.63 -20.58 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 74.15 110.266 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -83.92 -23.73 31.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 74.01 110.293 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.407 ' HA ' ' CG ' ' A' ' 11' ' ' GLU . 9.3 mm100 -81.07 -34.72 32.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 61.11 110.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.864 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 2.0 mm -61.88 -28.03 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 73.44 109.312 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.59 -12.19 60.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 64.32 109.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.605 ' OE2' HG23 ' A' ' 453' ' ' THR . 22.8 mm-40 -81.08 -64.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 72.32 110.298 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.857 ' CE2' HD13 ' A' ' 4' ' ' LEU . 82.2 m-85 -44.97 -25.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 63.24 110.958 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.0 mttt -55.84 -45.5 78.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 71.41 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.13 -37.58 80.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 64.33 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -75.02 -15.16 60.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 60.01 109.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.5 t80 -79.72 -46.49 16.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 73.12 111.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' LEU . . . -53.33 -29.65 35.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 65.25 109.319 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.905 HD21 ' HG2' ' A' ' 461' ' ' LYS . 84.2 mt -39.78 -42.18 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 73.42 109.286 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.636 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 21.8 m-85 -109.64 -39.06 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 70.35 110.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -66.77 84.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 62.32 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.632 ' HE3' HG21 ' A' ' 34' ' ' THR . 21.0 mmtt -65.39 -67.37 0.45 Allowed 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.605 1.669 . . . . 73.2 109.345 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -73.2 -16.71 61.41 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 117.942 -1.028 . . . . 63.31 110.015 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 63.1 62.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 73.12 109.299 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 19.7 p30 -99.24 -3.6 33.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 75.44 109.25 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.1 32.88 19.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 74.51 110.947 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.91 111.75 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 0.741 . . . . 71.11 110.026 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' ' 19' ' ' PHE . 30.4 mt -91.68 101.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 72.42 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 p -68.92 164.01 23.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.43 109.981 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -41.44 71.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 44.43 110.0 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -18.21 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 73.14 109.981 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.657 ' O ' HG22 ' A' ' 34' ' ' THR . 48.2 mt-10 -90.45 -49.21 6.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 64.25 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.139 HD22 HG13 ' A' ' 48' ' ' VAL . 1.3 tt -58.26 -42.52 86.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 72.22 109.33 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -71.88 -12.7 61.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 45.42 109.307 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -71.77 -29.07 64.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 61.2 110.358 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.545 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -91.13 -60.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 64.02 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.756 ' CE ' HD13 ' A' ' 41' ' ' LEU . 80.9 mmm -37.24 -52.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.34 110.997 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' SER . 11.8 ptp180 -62.86 -42.19 99.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 65.02 110.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' VAL . 74.1 m -58.59 -26.73 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 65.21 109.972 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.048 HD13 HG23 ' A' ' 465' ' ' ILE . 14.5 mt -78.69 -21.19 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 63.34 109.338 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.28 0.42 8.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.137 . . . . 72.55 111.014 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.756 HD13 ' CE ' ' A' ' 36' ' ' MET . 33.8 mt -80.01 -176.71 5.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 52.14 109.283 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.484 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 10.9 t -162.73 60.23 0.98 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 63.44 109.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -74.94 148.33 35.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 75.42 111.017 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m -91.22 139.84 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 72.43 109.978 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 55.2 tt0 -48.38 -27.11 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 64.11 110.307 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.25 -48.46 75.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 60.54 109.3 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.858 ' HB3' HD21 ' A' ' 475' ' ' LEU . 2.0 mt-10 -76.3 -51.42 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.31 110.314 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.139 HG13 HD22 ' A' ' 32' ' ' LEU . 52.1 t -40.3 -29.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 53.34 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.439 ' N ' ' C ' ' A' ' 47' ' ' GLU . 85.1 m-20 -74.55 -66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 62.22 109.319 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.791 ' HB3' HD13 ' A' ' 475' ' ' LEU . 33.0 t0 -49.95 -22.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 70.2 109.322 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.723 ' HB2' HD22 ' A' ' 475' ' ' LEU . 2.8 tt -81.59 -61.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 71.24 109.315 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.464 ' HE2' ' HB2' ' A' ' 52' ' ' MET . 5.2 ptm -63.12 -12.92 30.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 62.1 110.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -88.51 -13.65 39.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 64.55 109.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.693 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.6 mm-40 -81.48 -9.89 59.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.51 110.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.799 HG21 HD22 ' A' ' 71' ' ' LEU . 2.4 mm -117.89 -43.16 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 54.12 109.29 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 7.1 t0 -38.3 119.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 64.11 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.476 ' CG1' ' HG2' ' A' ' 67' ' ' GLU . 2.7 p -92.08 -31.71 4.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 CA-C-O 123.634 1.683 . . . . 74.41 109.27 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.6 p30 -93.03 -6.95 47.11 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.942 -1.028 . . . . 74.43 110.007 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.5 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 56.16 42.14 87.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 63.32 111.009 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.41 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 38.0 p-10 -97.39 12.49 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 73.1 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.684 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 26.4 t60 64.35 32.65 11.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 62.14 109.621 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 42.1 mt-30 -153.07 -176.76 5.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.41 110.327 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.3 126.31 61.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 73.34 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 1.2 tt0 -94.71 174.62 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 73.44 110.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.864 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.4 t80 -73.74 -13.45 60.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 73.03 111.007 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.1 t -89.17 -43.85 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 73.43 109.96 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.476 ' HG2' ' CG1' ' A' ' 57' ' ' VAL . 11.5 mt-10 -71.85 -47.65 51.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 62.33 110.319 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -55.05 -43.81 74.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 62.22 110.961 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.779 HD22 HG23 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -72.48 -36.16 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 70.31 109.306 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.62 -14.46 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 75.3 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.903 HD21 ' SD ' ' A' ' 471' ' ' MET . 8.7 tp -76.24 -49.82 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 71.5 109.249 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.486 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.8 OUTLIER -59.73 -42.96 94.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 71.44 111.002 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -6.29 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 54.1 109.965 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.486 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -132.69 29.37 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 72.33 110.313 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.477 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -120.44 13.04 11.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 73.13 110.296 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.951 HD13 ' CB ' ' A' ' 80' ' ' ASP . 62.8 mt -149.29 165.24 32.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 75.42 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -137.58 -66.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 72.34 109.299 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t -113.11 -76.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 43.52 110.024 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.561 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -76.0 60.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 72.34 109.314 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.951 ' CB ' HD13 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -54.52 -88.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 73.34 109.286 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.509 ' OG ' HD23 ' A' ' 85' ' ' LEU . 2.5 t -36.91 -58.59 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 60.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.52 -50.53 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 72.33 110.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.541 HE21 HD21 ' A' ' 86' ' ' LEU . 3.4 tp60 -54.21 -62.4 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 70.14 110.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.829 ' OE2' HD13 ' A' ' 144' ' ' LEU . 7.2 pt-20 -63.19 -12.26 26.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 73.13 110.314 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.977 HD22 HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -78.95 -66.94 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 70.13 109.294 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.541 HD21 HE21 ' A' ' 83' ' ' GLN . 2.6 pp -49.1 -40.06 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 64.42 109.305 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 25.5 mm-40 -69.55 -60.04 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.13 110.253 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -60.54 -13.8 16.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 53.31 109.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 85' ' ' LEU . 47.5 t80 -85.61 -45.18 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 70.13 111.007 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -81.47 -3.18 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 63.42 109.299 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -98.48 -42.37 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.12 109.31 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.932 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.0 m-85 -69.81 -38.33 76.58 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.57 1.653 . . . . 73.04 111.01 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.7 100.67 2.88 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.899 -1.048 . . . . 63.33 110.002 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.28 -31.81 20.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 55.24 109.302 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.456 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -77.37 -45.8 24.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 64.44 109.282 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.58 77.06 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 73.42 111.016 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.684 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.07 10.21 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 72.41 109.294 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.863 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.53 19.34 74.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 72.14 111.038 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.3 mt -149.9 110.99 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 63.23 109.287 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.599 HD13 ' CB ' ' A' ' 92' ' ' PHE . 60.7 mt -76.29 103.75 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 61.31 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.71 177.19 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 62.15 110.027 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -47.18 -70.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 63.32 109.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -40.04 -66.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 51.33 109.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 37.0 mt-10 -38.45 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 64.14 110.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.768 HD23 HG23 ' A' ' 121' ' ' VAL . 4.0 tp -93.32 -72.96 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 72.42 109.271 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.632 ' HD2' HG11 ' A' ' 121' ' ' VAL . 18.7 ptmt -46.03 -57.42 4.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 73.41 109.287 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.589 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -48.39 -41.24 28.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 61.31 109.606 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.932 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -64.04 -55.41 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 61.2 109.256 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 109' ' ' LEU . 1.9 mm? -59.19 -22.83 61.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 73.21 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.6 m -84.81 -17.34 38.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 73.41 110.383 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.7 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -75.94 -12.98 60.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 52.21 109.994 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 465' ' ' ILE . 6.2 pt -108.24 -30.32 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 74.32 109.251 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 146.78 -30.92 1.51 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 23.23 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' HG3' ' CD ' ' A' ' 461' ' ' LYS . 13.1 mt-10 -64.55 110.45 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.746 . . . . 74.1 110.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -114.25 91.97 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 52.2 109.275 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.824 HD23 ' HB3' ' A' ' 120' ' ' GLU . 2.6 mp -88.87 135.9 33.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 65.43 109.324 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 120' ' ' GLU . 74.9 p -64.85 153.62 39.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 71.54 110.39 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 25.3 t70 -45.43 -40.32 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 65.21 109.313 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 123' ' ' ASP . . . -68.4 -39.07 81.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 75.14 109.269 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.824 ' HB3' HD23 ' A' ' 116' ' ' LEU . 14.4 mm-40 -63.79 -60.08 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 72.11 110.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.768 HG23 HD23 ' A' ' 105' ' ' LEU . 7.8 p -59.19 -56.34 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 74.53 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.556 ' N ' HG13 ' A' ' 121' ' ' VAL . 10.7 t70 -52.67 -21.97 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 71.02 109.254 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 3.8 t70 -91.73 -28.63 17.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 75.25 109.271 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.514 ' O ' ' CG ' ' A' ' 127' ' ' GLU . 15.6 tpp -66.9 -41.47 87.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 62.33 111.001 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 127' ' ' GLU . 10.7 mt -60.31 -55.25 35.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 61.41 109.317 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 19.1 mtt-85 -37.75 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 74.42 110.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 124' ' ' MET . 94.6 mt-10 -44.87 -49.25 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 55.32 110.315 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.546 HG22 HD21 ' A' ' 143' ' ' LEU . 33.5 m -132.03 10.34 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 41.44 109.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 132' ' ' SER . 1.5 p -97.74 3.25 50.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 53.24 110.034 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.9 t70 40.67 32.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 73.4 109.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.77 46.62 60.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 72.55 111.011 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 129' ' ' SER . 1.1 m -97.06 -72.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 62.54 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 147.31 -14.52 1.45 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 62.52 110.968 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 27.0 mt-10 -146.28 163.36 35.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 72.2 110.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.567 ' CD1' HD11 ' A' ' 143' ' ' LEU . 5.2 pt -131.31 131.1 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 74.42 109.298 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.509 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -97.06 -176.39 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 50.54 109.263 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.776 HG23 HE21 ' A' ' 138' ' ' GLN . 3.3 tp -53.44 -20.2 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 73.34 109.262 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.776 HE21 HG23 ' A' ' 137' ' ' ILE . 7.1 mm-40 -86.61 -55.33 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 71.24 110.323 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 29.4 mt-30 -65.35 -57.85 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 73.23 110.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.726 ' CE2' HD13 ' A' ' 85' ' ' LEU . 17.9 t80 -44.77 -46.47 10.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 74.01 111.028 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.707 ' HA ' HD21 ' A' ' 85' ' ' LEU . . . -62.19 -31.89 72.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 72.1 109.252 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -58.75 -19.67 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 64.44 109.298 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 135' ' ' ILE . 85.7 mt -72.55 -66.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 62.34 109.291 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.977 HD12 HD22 ' A' ' 85' ' ' LEU . 10.0 mt -49.58 -22.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.42 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 143' ' ' LEU . 72.2 m -107.08 39.49 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 64.44 109.991 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.35 86.24 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.23 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -125.43 41.07 1.74 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 71.54 111.058 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 26.0 p -87.91 -59.26 2.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.744 . . . . 72.31 110.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.2 23.21 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 71.15 110.022 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.526 HG22 ' HB3' ' A' ' 455' ' ' ARG . 3.2 p -114.76 -159.47 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 72.41 110.432 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.411 ' C ' ' OG1' ' A' ' 453' ' ' THR . . . 163.38 -39.38 0.33 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 64.12 110.984 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.605 HG23 ' OE2' ' A' ' 11' ' ' GLU . 6.4 m -157.12 -43.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.8 . . . . 65.53 110.377 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -75.62 -69.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 62.4 110.312 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.526 ' HB3' HG22 ' A' ' 150' ' ' THR . 21.0 mmt-85 -56.32 -42.06 77.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 73.44 110.256 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 456' ' ' LYS . 0.0 OUTLIER -60.27 -19.42 54.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 75.43 109.263 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . 0.498 ' HB2' ' OE1' ' A' ' 11' ' ' GLU . . . -92.5 -17.65 24.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 52.03 109.283 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -52.14 65.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 43.32 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.492 ' O ' HD13 ' A' ' 463' ' ' LEU . 3.6 ptp180 -73.51 -25.71 60.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 74.14 110.293 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.676 ' HA ' HD22 ' A' ' 463' ' ' LEU . 11.7 t30 -58.07 -31.26 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 71.31 109.311 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.905 ' HG2' HD21 ' A' ' 18' ' ' LEU . 4.8 ttmt -59.98 -25.35 65.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 72.45 109.253 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.719 HG23 ' HE1' ' A' ' 92' ' ' PHE . 39.2 mt -88.05 -34.25 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 60.33 109.301 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.676 HD22 ' HA ' ' A' ' 460' ' ' ASN . 3.3 mp -48.73 -45.09 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 50.43 109.31 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.86 ' O ' HG22 ' A' ' 468' ' ' VAL . . . -72.05 -53.36 13.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 65.33 109.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.048 HG23 HD13 ' A' ' 39' ' ' LEU . 24.9 mt -48.21 -24.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 71.44 109.338 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -84.25 -71.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.11 109.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 470' ' ' ARG . 5.7 mttp -44.05 -65.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.43 109.34 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.86 HG22 ' O ' ' A' ' 464' ' ' ALA . 7.9 m -38.43 -31.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.32 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 467' ' ' LYS . 0.1 OUTLIER -74.31 -53.6 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 54.11 110.017 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 467' ' ' LYS . 1.0 OUTLIER -55.42 -42.17 73.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.13 110.273 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.903 ' SD ' HD21 ' A' ' 71' ' ' LEU . 27.8 mtp -42.97 -49.1 6.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 70.33 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.703 ' HA ' HD12 ' A' ' 51' ' ' LEU . 7.0 t80 -50.54 -36.95 36.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 73.53 111.059 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -75.44 -26.54 58.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 51.52 110.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.443 HG22 HH11 ' A' ' 470' ' ' ARG . 47.3 t -74.68 -51.61 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 64.1 109.315 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.858 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.02 -38.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 52.04 109.272 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 72.41 110.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.983 -0.847 . . . . 71.21 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.29 56.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 55.25 110.02 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.471 ' OG ' ' CB ' ' A' ' 73' ' ' SER . 4.2 t -120.2 142.25 49.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 73.41 110.013 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -126.98 70.74 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 71.41 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.778 HD13 ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -114.48 173.0 6.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 72.32 109.288 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 p -116.54 167.93 10.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 73.31 110.441 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -52.23 -35.29 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 71.12 110.338 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -70.9 -25.6 62.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -78.34 -36.96 45.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.12 110.253 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.167 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.6 mm -63.38 -21.27 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 73.22 109.302 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.68 -17.55 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 74.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HG3' ' HZ1' ' A' ' 456' ' ' LYS . 23.8 mm-40 -80.03 -66.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 61.01 110.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.778 ' CE1' HD13 ' A' ' 4' ' ' LEU . 77.6 m-85 -42.68 -26.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 53.41 110.99 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 12.1 mttt -51.55 -47.56 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.4 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.459 ' HB3' ' CE ' ' A' ' 461' ' ' LYS . 6.6 mm-40 -55.14 -46.4 75.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 74.12 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -66.24 -15.33 63.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 71.14 109.26 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.47 ' CZ ' ' C ' ' A' ' 64' ' ' GLU . 1.4 t80 -85.22 -36.85 20.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 75.42 110.969 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -14.27 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 54.43 109.326 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.807 HD21 ' HG3' ' A' ' 461' ' ' LYS . 38.7 mt -56.74 -40.07 75.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 63.14 109.278 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CD1' HD13 ' A' ' 27' ' ' ILE . 2.4 m-85 -108.83 -45.8 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 74.2 111.031 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.0 92.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 73.15 109.247 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.753 ' HE3' HG21 ' A' ' 34' ' ' THR . 4.8 mmtp -69.73 -67.43 0.49 Allowed 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 123.633 1.682 . . . . 74.12 109.309 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.7 p30 -74.12 -20.4 60.26 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.876 -1.059 . . . . 74.01 109.967 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 m120 69.56 60.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 75.25 109.278 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 23.7 p30 -98.21 -23.13 15.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 61.02 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 105.42 40.87 1.99 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 52.31 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.95 115.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 74.2 109.983 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.639 HD13 ' CD1' ' A' ' 19' ' ' PHE . 95.9 mt -102.29 93.39 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 75.14 109.358 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.452 ' OG ' ' NE2' ' A' ' 61' ' ' HIS . 33.5 t -67.71 -170.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 54.01 109.999 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.446 ' N ' ' OG ' ' A' ' 28' ' ' SER . 30.5 t -74.7 -23.6 58.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 70.04 110.019 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.55 -27.28 58.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 70.3 109.957 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 34' ' ' THR . 83.1 mt-10 -90.86 -37.32 13.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 74.03 110.263 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.877 HD22 HG13 ' A' ' 48' ' ' VAL . 1.3 tt -68.03 -56.94 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 72.14 109.307 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.64 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -64.05 -12.71 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 71.41 109.27 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.753 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -74.65 -35.73 62.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 62.24 110.381 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.56 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.3 t -78.94 -63.84 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.32 109.292 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.654 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 88.7 mtp -38.08 -51.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 73.43 110.979 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -62.12 -40.85 97.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 70.04 110.316 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' VAL . 21.1 p -58.57 -16.37 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 72.54 110.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.996 HD13 HG23 ' A' ' 465' ' ' ILE . 19.2 mt -93.6 -20.33 20.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 72.41 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.33 1.15 8.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 73.23 111.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.638 HD13 ' HE2' ' A' ' 36' ' ' MET . 17.8 mt -77.98 177.73 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 52.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -158.64 59.59 1.54 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 72.41 109.965 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -75.05 137.93 22.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.821 . . . . 72.52 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -76.48 140.07 41.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 72.31 110.027 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -55.0 -26.6 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 75.12 110.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.88 74.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.43 109.289 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.761 ' HB3' HD21 ' A' ' 475' ' ' LEU . 2.6 mm-40 -74.37 -51.65 14.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 51.14 110.287 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.877 HG13 HD22 ' A' ' 32' ' ' LEU . 45.6 t -39.62 -30.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 63.53 109.245 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.54 ' OD1' ' CE1' ' A' ' 61' ' ' HIS . 72.4 m-20 -74.76 -66.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 73.33 109.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.88 -23.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 70.1 109.311 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.982 ' HB2' HD22 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -75.52 -68.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 73.14 109.272 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.578 ' HE1' ' O ' ' A' ' 61' ' ' HIS . 7.5 ptm -61.4 -12.56 14.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 74.32 110.999 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 1.1 m-80 -78.14 -7.91 57.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 65.1 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' C ' HD13 ' A' ' 55' ' ' ILE . 11.0 mm-40 -99.32 -11.34 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 70.1 110.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.617 HD12 HD13 ' A' ' 71' ' ' LEU . 1.2 mm -108.57 -53.44 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 53.1 109.335 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 61' ' ' HIS . 6.5 t0 -37.9 122.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 72.03 109.283 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.3 t -81.67 -34.26 12.78 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-O 123.674 1.702 . . . . 74.15 109.335 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 51.9 p30 -97.84 -6.74 31.88 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 117.909 -1.043 . . . . 74.21 109.993 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.48 41.93 93.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.139 . . . . 44.45 111.005 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 34.3 p-10 -92.59 13.48 19.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 73.03 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.637 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 43.7 t60 65.85 29.78 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 75.34 109.581 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 47.4 mt-30 -152.24 158.73 43.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 73.42 110.349 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.496 HG22 ' HB2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -108.21 124.0 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 72.44 109.323 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.47 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 7.2 mt-10 -90.0 -178.75 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 42.13 110.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 1.167 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 9.0 t80 -79.21 -10.97 59.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 72.11 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.508 ' C ' HD12 ' A' ' 69' ' ' LEU . 16.7 p -97.14 -27.73 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 63.14 110.007 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -86.55 -53.78 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 62.24 110.324 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.496 ' HB2' HG22 ' A' ' 63' ' ' ILE . 83.9 t80 -55.34 -43.59 75.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 72.13 110.97 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.072 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.71 -24.58 63.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 71.1 109.356 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.072 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -86.44 -15.45 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 64.12 109.331 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.623 HD21 ' SD ' ' A' ' 471' ' ' MET . 54.5 tp -74.36 -53.85 8.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 74.12 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -47.9 -45.0 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 75.01 110.991 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.471 ' CB ' ' OG ' ' A' ' 2' ' ' SER . 3.6 p -72.89 -22.57 60.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 75.31 110.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -111.41 29.44 7.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 72.44 110.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.476 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 11.5 mm100 -117.66 -10.04 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.13 110.27 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.76 HD12 ' C ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -118.96 153.53 34.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 64.24 109.321 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -142.63 -61.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 73.4 109.301 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.3 m -146.44 -79.31 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 74.2 109.994 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.65 -2.11 57.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 73.4 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.502 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 0.9 OUTLIER -43.09 -54.11 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 71.33 109.285 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' ASP . 11.6 t -37.95 -62.68 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 65.31 110.021 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -45.37 -42.49 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 73.42 110.326 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.563 HE21 HD21 ' A' ' 86' ' ' LEU . 3.3 tp60 -57.48 -60.55 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 64.41 110.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.695 ' HB2' ' HB1' ' A' ' 466' ' ' ALA . 8.3 pt-20 -63.91 -19.62 65.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 72.2 110.279 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.079 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -72.25 -64.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 72.51 109.3 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.563 HD21 HE21 ' A' ' 83' ' ' GLN . 2.6 pp -53.89 -35.38 61.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.0 mm-40 -67.09 -58.74 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 74.45 110.334 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -64.87 -17.66 64.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 70.23 109.291 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE2' ' HB ' ' A' ' 137' ' ' ILE . 30.2 t80 -77.11 -57.68 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 72.25 110.986 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -18.96 61.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 71.41 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 87' ' ' GLU . 5.0 t -73.93 -49.37 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 40.33 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.981 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.5 m-85 -67.76 -38.63 83.71 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.656 1.693 . . . . 73.41 110.965 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.468 ' HA ' ' OE2' ' A' ' 104' ' ' GLU . 0.4 OUTLIER -72.67 101.53 3.08 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.872 -1.061 . . . . 75.43 109.941 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -35.8 23.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 62.0 109.286 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.6 OUTLIER -74.63 -46.69 36.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 71.14 109.266 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.92 77.22 1.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 20.1 111.016 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.502 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -133.03 5.61 3.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 63.43 109.273 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.915 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 81.41 14.06 79.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 73.33 110.977 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.915 HD23 ' O ' ' A' ' 98' ' ' GLY . 0.5 OUTLIER -151.0 116.12 5.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 73.14 109.311 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.584 HD13 ' CB ' ' A' ' 92' ' ' PHE . 66.5 mt -76.18 99.85 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 73.12 109.332 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.1 t -64.12 174.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 31.43 110.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.929 ' HA ' HD11 ' A' ' 125' ' ' LEU . . . -47.46 -70.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 71.32 109.265 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.21 -67.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 65.31 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 31.7 mt-10 -37.93 -29.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 73.1 110.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.693 HD23 HD11 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -89.14 -72.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 74.41 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.598 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -47.76 -59.22 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.42 109.309 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.734 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -41.26 -40.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 72.32 109.597 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.981 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.7 t -71.26 -42.81 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 62.21 109.312 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.627 HD23 HD13 ' A' ' 105' ' ' LEU . 1.6 mm? -59.78 -34.48 73.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 63.23 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.7 m -84.85 -14.98 46.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 64.52 110.4 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.27 -0.06 39.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.44 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.941 HG21 HD11 ' A' ' 465' ' ' ILE . 12.5 pt -111.94 -33.56 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 70.32 109.325 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.58 -39.82 1.01 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 60.22 111.029 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.474 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -53.83 171.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 71.3 110.322 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 2.7 mtmp? -148.85 114.31 5.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 73.34 109.274 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.821 HD22 ' HB3' ' A' ' 120' ' ' GLU . 12.9 mt -123.03 133.23 54.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 61.42 109.293 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 120' ' ' GLU . 26.9 p -65.11 145.34 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 75.02 110.395 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -45.46 -27.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 63.41 109.33 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 117' ' ' THR . . . -81.3 -42.85 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 61.33 109.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.821 ' HB3' HD22 ' A' ' 116' ' ' LEU . 5.9 mm-40 -57.38 -43.81 83.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 63.54 110.308 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.598 HG21 ' HG2' ' A' ' 106' ' ' LYS . 10.1 p -72.27 -54.36 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 75.02 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.563 ' N ' HG13 ' A' ' 121' ' ' VAL . 30.8 t70 -47.18 -24.71 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 72.41 109.271 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.414 ' N ' ' C ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -91.48 -36.13 13.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.54 109.3 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.736 ' HE1' HD11 ' A' ' 458' ' ' LEU . 25.6 ttm -58.38 -34.45 70.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 64.03 111.017 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.929 HD11 ' HA ' ' A' ' 102' ' ' ALA . 3.5 mt -70.31 -59.21 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 61.24 109.276 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -39.51 -29.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 71.22 110.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 125' ' ' LEU . 4.0 mm-40 -42.85 -46.31 5.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 62.43 110.276 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.705 HG12 ' NZ ' ' A' ' 146' ' ' LYS . 25.7 m -123.82 -0.69 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 33.52 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.503 ' HA ' ' NE2' ' A' ' 139' ' ' GLN . 0.0 OUTLIER -83.22 -8.42 59.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 72.32 110.015 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.2 t70 60.31 28.5 18.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 74.33 109.271 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 91.28 -8.44 79.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.563 1.165 . . . . 74.42 111.014 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.447 ' N ' ' OG ' ' A' ' 129' ' ' SER . 28.1 t -52.34 -87.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.761 . . . . 73.04 110.013 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.538 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 156.46 -22.19 0.49 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 63.03 111.023 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.414 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 12.5 mt-10 -124.11 172.47 8.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 64.23 110.327 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.693 HD11 HD23 ' A' ' 105' ' ' LEU . 7.0 pt -139.1 125.23 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 74.43 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.524 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -90.6 -176.98 4.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 64.2 109.253 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.823 HG23 HE21 ' A' ' 138' ' ' GLN . 2.7 tp -54.9 -18.36 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 75.43 109.268 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.823 HE21 HG23 ' A' ' 137' ' ' ILE . 6.0 mm-40 -90.08 -56.44 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 71.44 110.253 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.682 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 25.6 mt-30 -62.67 -54.88 32.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.15 110.353 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.433 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 23.3 t80 -44.21 -47.34 9.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 75.32 110.984 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 1.079 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -62.54 -31.46 72.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.24 109.283 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -51.2 -33.52 27.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 73.22 109.279 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.413 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.9 mt -63.43 -59.09 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.22 109.302 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.697 ' N ' HD23 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -58.05 -17.26 16.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 70.33 109.325 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.1 m -115.64 40.99 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 62.25 109.994 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.705 ' NZ ' HG12 ' A' ' 128' ' ' VAL . 3.1 tptm -120.95 82.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 74.11 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -128.2 60.06 0.67 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.471 1.107 . . . . 71.34 111.025 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.2 t -122.25 -41.57 2.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 0.741 . . . . 74.21 109.969 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 72.8 m -130.66 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 61.44 109.996 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.548 HG22 ' HB2' ' A' ' 455' ' ' ARG . 69.1 p -109.25 -74.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.162 . . . . 64.23 110.413 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 150' ' ' THR . . . 83.41 40.48 9.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.556 1.16 . . . . 41.14 111.001 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 453' ' ' THR . 2.1 m 63.71 39.33 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 54.55 110.383 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -137.08 -45.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 75.24 110.285 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.548 ' HB2' HG22 ' A' ' 150' ' ' THR . 65.2 mmt-85 -82.19 -41.32 20.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 74.45 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.423 ' HZ1' ' HG3' ' A' ' 11' ' ' GLU . 13.6 ptmt -54.39 -22.29 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 75.15 109.296 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -90.93 -23.88 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 33.31 109.297 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.736 HD11 ' HE1' ' A' ' 124' ' ' MET . 0.5 OUTLIER -73.19 -55.28 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 71.05 109.346 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.677 ' O ' HD13 ' A' ' 463' ' ' LEU . 3.0 ptp180 -62.24 -33.23 74.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 74.13 110.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -57.36 -37.18 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 35.24 109.343 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.807 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.69 -29.3 52.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 74.43 109.247 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.849 HG23 ' CE1' ' A' ' 92' ' ' PHE . 14.7 mt -89.52 -31.11 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 75.33 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 459' ' ' ARG . 9.7 mp -50.27 -60.97 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.13 109.322 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.882 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -50.32 -55.67 14.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 72.01 109.341 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.996 HG23 HD13 ' A' ' 39' ' ' LEU . 28.7 mt -49.58 -23.0 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.13 109.333 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.695 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -86.7 -62.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 71.15 109.33 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.502 ' HZ3' ' HG ' ' A' ' 463' ' ' LEU . 0.2 OUTLIER -57.51 -67.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 63.04 109.321 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.543 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 82.9 t -38.96 -34.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 63.22 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -60.5 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.23 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -26.72 38.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.42 110.303 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.623 ' SD ' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -58.06 -25.2 60.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 64.42 111.029 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.654 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 38.1 t80 -88.84 -21.35 23.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 74.15 111.01 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 31.2 m -95.48 -1.94 49.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.33 109.978 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 471' ' ' MET . 12.0 p -107.65 -46.58 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 54.14 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.982 HD22 ' HB2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.09 -35.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 40.43 109.359 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 70.03 110.345 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.021 -0.832 . . . . 61.53 111.021 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.3 p -90.77 84.97 5.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.77 . . . . 75.32 109.978 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -122.45 149.21 44.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.54 109.971 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -138.06 67.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 73.21 109.29 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 12' ' ' PHE . 3.0 mt -117.79 179.68 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 72.24 109.319 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.7 p -124.66 164.45 19.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 71.41 110.449 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.05 -25.52 21.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 64.54 110.256 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -78.3 -27.18 47.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 73.13 110.321 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -77.27 -35.53 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 64.43 110.271 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.148 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.9 mm -63.42 -20.72 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 75.33 109.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.91 -12.74 60.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 61.43 109.289 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 22.1 mt-10 -85.08 -68.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 74.24 110.28 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 4' ' ' LEU . 71.9 m-85 -41.54 -27.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 75.1 110.974 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 3.8 mtmt -48.58 -47.93 39.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 72.4 109.297 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.448 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 20.2 mm-40 -55.55 -34.7 64.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 71.04 110.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.778 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -74.56 -19.01 60.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 51.3 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.6 t80 -81.44 -41.64 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 63.01 110.965 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -24.51 62.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 64.23 109.272 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.896 HD21 ' HG2' ' A' ' 461' ' ' LYS . 63.5 mt -45.95 -42.67 13.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 72.51 109.279 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.63 ' HZ ' HG21 ' A' ' 468' ' ' VAL . 2.1 m-85 -109.19 -47.14 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 73.02 111.017 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -54.79 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 73.23 109.301 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.671 ' HE3' HG21 ' A' ' 34' ' ' THR . 8.0 mmtp -65.65 -67.21 0.46 Allowed 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 123.63 1.681 . . . . 70.52 109.313 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.9 p30 -75.14 -10.89 59.89 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.904 -1.046 . . . . 61.13 109.968 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 56.75 56.9 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 72.44 109.306 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 10.7 p30 -89.83 -21.24 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 70.31 109.284 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 106.96 34.3 3.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 52.32 111.024 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.73 112.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 74.4 109.99 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.616 HD13 ' CD1' ' A' ' 19' ' ' PHE . 96.2 mt -92.01 101.77 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 70.34 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.436 ' C ' ' HE1' ' A' ' 52' ' ' MET . 2.3 p -67.05 177.65 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 71.23 110.028 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.495 ' N ' ' HE1' ' A' ' 52' ' ' MET . 13.0 t -68.12 -35.36 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 71.13 110.015 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -22.25 61.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 71.44 109.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 34' ' ' THR . 57.7 mt-10 -90.6 -35.29 15.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 61.12 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.985 HD22 HG13 ' A' ' 48' ' ' VAL . 1.7 tt -72.55 -49.13 34.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 71.4 109.349 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.507 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -70.72 -12.49 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.05 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.671 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -69.74 -25.11 63.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 62.13 110.381 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.549 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -91.48 -60.59 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 71.31 109.25 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.548 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 91.8 mtp -38.22 -54.26 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 73.41 111.02 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 38' ' ' SER . 9.7 ptm180 -58.19 -40.58 81.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.24 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' VAL . 6.5 p -59.11 -27.63 65.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 75.13 109.969 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.111 HD13 HG23 ' A' ' 465' ' ' ILE . 9.8 mt -79.42 -17.82 53.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 71.05 109.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.32 11.57 8.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 33.51 111.016 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.487 HD13 ' HE2' ' A' ' 36' ' ' MET . 16.7 mt -89.4 -176.96 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 64.31 109.291 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.453 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 44.4 t -164.32 61.5 0.9 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 64.44 109.985 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 146.79 33.23 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.78 . . . . 44.32 111.015 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 m -87.6 140.42 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 64.12 109.978 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 51.5 tt0 -48.45 -27.93 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 73.14 110.293 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.14 -49.23 76.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 64.43 109.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.5 mt-10 -75.85 -51.21 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 71.32 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.985 HG13 HD22 ' A' ' 32' ' ' LEU . 55.6 t -40.81 -37.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 61.31 109.257 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 93.0 m-20 -63.94 -63.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 73.4 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -14.26 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 73.42 109.264 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.756 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.5 tm? -78.66 -53.79 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 72.34 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.556 ' HB3' HD13 ' A' ' 32' ' ' LEU . 7.0 ptm -80.29 -14.39 58.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 72.35 110.974 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -86.6 -8.06 57.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 72.43 109.31 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.576 ' C ' HD13 ' A' ' 55' ' ' ILE . 5.2 mm-40 -84.75 -12.95 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 71.45 110.27 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.628 HG21 ' HB2' ' A' ' 71' ' ' LEU . 2.4 mm -117.57 -39.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 53.44 109.343 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.4 t0 -37.85 121.32 0.91 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 44.42 109.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -81.8 -24.72 9.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 CA-C-O 123.625 1.679 . . . . 75.12 109.298 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 50.6 p30 -109.06 -6.38 15.66 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.902 -1.047 . . . . 74.24 109.99 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 55.9 42.52 86.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 71.45 111.041 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.1 p-10 -92.81 13.65 19.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 74.45 109.267 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.652 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 39.5 t60 65.8 31.67 9.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 72.44 109.61 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.452 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 48.1 mt-30 -154.64 158.54 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 73.42 110.247 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.507 HG22 ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -110.68 125.16 67.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 71.42 109.297 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -90.53 -175.9 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 62.15 110.325 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 1.148 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 7.1 t80 -82.52 -10.66 58.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 52.02 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 3.2 m -96.65 -29.36 13.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 42.55 109.991 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -86.0 -53.19 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 74.14 110.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' HB2' HG22 ' A' ' 63' ' ' ILE . 87.7 t80 -55.59 -44.6 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 72.14 111.025 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.088 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.08 -24.03 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.42 109.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.088 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -84.55 -15.38 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 65.14 109.293 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.715 HD21 ' SD ' ' A' ' 471' ' ' MET . 48.6 tp -72.97 -50.41 23.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 73.11 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -61.25 -12.92 15.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 71.23 110.963 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 p -115.23 1.2 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 73.52 110.039 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.01 -14.7 11.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.15 110.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -78.64 -30.19 46.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 71.24 110.276 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.768 ' N ' HD23 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -66.39 84.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 70.51 109.283 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -84.36 -66.61 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.54 109.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -137.42 -60.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 63.13 110.009 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.77 54.43 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 73.44 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' GLN . 2.6 t70 -87.48 -49.09 7.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 74.32 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 t -44.15 -40.69 5.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 74.42 110.036 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.1 -34.56 66.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 71.33 110.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.632 ' NE2' HD21 ' A' ' 86' ' ' LEU . 8.2 tp-100 -64.52 -49.16 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 64.3 110.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 2.7 pt-20 -57.06 -24.87 57.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 71.34 110.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.834 ' HB3' HD11 ' A' ' 137' ' ' ILE . 8.3 mt -72.03 -67.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 61.52 109.294 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.632 HD21 ' NE2' ' A' ' 83' ' ' GLN . 3.0 pp -52.01 -36.86 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 60.03 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.632 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.1 mm-40 -65.62 -58.09 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 71.12 110.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.928 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -65.58 -18.54 65.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 75.31 109.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' HA ' HD11 ' A' ' 100' ' ' ILE . 11.7 t80 -76.06 -63.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 74.55 111.019 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -63.43 -34.84 78.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 71.42 109.316 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 87' ' ' GLU . 12.3 t -57.98 -53.77 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 74.4 109.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.977 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.1 m-85 -64.69 -39.72 94.15 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 123.597 1.665 . . . . 75.05 110.97 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.09 98.03 2.03 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.925 -1.036 . . . . 72.35 109.995 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.482 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 3.5 mmtt -84.06 -32.88 24.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 72.13 109.288 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.442 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -76.31 -43.6 40.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 73.1 109.323 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.42 79.71 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 72.01 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.638 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -141.19 12.31 2.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 72.42 109.267 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.858 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 68.65 19.5 73.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 71.23 111.009 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.858 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.6 mt -150.01 111.02 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 73.41 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.558 HD13 ' CB ' ' A' ' 92' ' ' PHE . 63.6 mt -78.31 105.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 70.23 109.326 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.8 t -73.94 176.3 6.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 41.34 109.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.695 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -45.44 -71.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 62.45 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 107' ' ' HIS . . . -40.61 -66.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 70.42 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' CB ' HG23 ' A' ' 100' ' ' ILE . 40.5 mt-10 -38.41 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 70.52 110.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.886 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -94.34 -73.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 63.33 109.311 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.531 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -45.78 -56.32 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 72.42 109.312 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.681 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.9 -38.86 11.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 73.42 109.601 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.977 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.7 t -70.65 -55.22 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 73.25 109.241 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 458' ' ' LEU . 2.7 mt -51.58 -29.94 19.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 74.14 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.3 m -80.69 -25.98 37.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 41.43 110.385 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -67.19 -11.19 56.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 74.33 110.024 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.031 HG21 HD11 ' A' ' 465' ' ' ILE . 12.6 pt -112.23 -32.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 71.23 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.31 -36.94 0.86 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 25.22 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 109' ' ' LEU . 36.6 mm-40 -56.11 114.45 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 0.744 . . . . 72.52 110.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -105.05 103.37 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 72.32 109.326 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -110.58 121.9 46.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 73.1 109.282 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.428 ' N ' ' HB2' ' A' ' 120' ' ' GLU . 25.8 p -63.72 160.36 17.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 62.11 110.42 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -24.73 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 75.23 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.59 -19.92 24.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 70.51 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.657 ' HB3' HD13 ' A' ' 116' ' ' LEU . 5.2 mm-40 -81.03 -57.73 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 71.52 110.335 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.695 ' CG1' ' HB1' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -61.28 -50.41 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 63.44 109.328 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.762 ' HA ' HD12 ' A' ' 125' ' ' LEU . 4.5 t0 -51.5 -23.75 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 74.12 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.73 -37.04 13.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 74.1 109.283 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.425 ' O ' ' CG ' ' A' ' 127' ' ' GLU . 0.5 OUTLIER -63.96 -34.46 78.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 75.21 110.976 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 122' ' ' ASP . 4.2 mt -62.1 -53.59 53.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 52.43 109.274 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 125' ' ' LEU . 45.2 mtt180 -36.96 -31.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 61.41 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 7.7 mm-40 -46.53 -50.66 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 72.1 110.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.475 ' CG2' ' CD1' ' A' ' 143' ' ' LEU . 20.9 m -131.85 14.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 41.03 109.268 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.2 p -101.07 10.87 40.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 62.21 109.994 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' SER . 66.0 t0 38.29 47.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.03 109.326 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 52.28 47.45 55.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 73.3 111.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' SER . 43.0 t -107.27 -77.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 74.4 109.967 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 152.33 -19.29 0.82 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.149 . . . . 71.33 111.006 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.421 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 22.4 mt-10 -127.46 174.34 9.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 71.34 110.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.886 HD11 ' CD1' ' A' ' 105' ' ' LEU . 6.3 pt -146.97 127.69 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 75.31 109.342 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.494 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -96.95 170.54 9.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 61.24 109.256 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.834 HD11 ' HB3' ' A' ' 85' ' ' LEU . 6.7 tp -39.36 -30.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 71.05 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 136' ' ' ASN . 3.3 mm-40 -75.68 -59.58 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 72.45 110.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.716 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 18.4 mt-30 -66.76 -57.18 7.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.41 110.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.468 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 64.2 t80 -41.54 -50.96 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 74.43 111.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 145' ' ' SER . . . -63.1 -34.42 77.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 53.24 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -44.95 -27.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 63.14 109.359 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.475 ' CD1' ' CG2' ' A' ' 128' ' ' VAL . 1.1 mt -82.92 -42.63 17.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 73.44 109.304 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.481 HD12 HD23 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -87.36 11.98 13.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 63.42 109.284 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 141' ' ' ALA . 45.9 t -120.52 -38.08 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 54.32 109.993 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -155.47 -78.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 61.22 109.284 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.422 ' N ' ' HD2' ' A' ' 146' ' ' LYS . . . 99.59 131.46 7.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 71.2 111.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 147' ' ' GLY . 47.4 t -37.2 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 61.21 110.026 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.464 ' C ' ' CG2' ' A' ' 150' ' ' THR . 6.9 m -115.52 107.68 15.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 62.34 109.992 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.464 ' CG2' ' C ' ' A' ' 149' ' ' SER . 12.7 p -151.48 137.67 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 64.51 110.396 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -141.88 -77.53 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 72.34 110.983 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 2.3 m -132.65 7.5 4.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 53.21 110.433 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -114.62 -48.52 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 72.54 110.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -85.9 -24.14 26.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 73.21 110.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.542 ' HB2' HH21 ' A' ' 459' ' ' ARG . 0.0 OUTLIER -59.85 -27.97 67.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 74.03 109.332 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . 0.448 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -85.33 -16.15 40.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 45.11 109.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -67.86 -50.66 55.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 73.41 109.28 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' A' ' 456' ' ' LYS . 1.7 ptp180 -60.45 -41.57 94.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 74.51 110.315 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.591 ' HA ' HD12 ' A' ' 463' ' ' LEU . 6.9 t30 -56.91 -38.88 73.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 72.11 109.334 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.896 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -60.33 -25.67 65.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.13 109.308 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.836 HG23 ' CE1' ' A' ' 92' ' ' PHE . 23.7 mt -88.59 -33.49 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 61.12 109.262 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 460' ' ' ASN . 96.3 mt -49.96 -62.08 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 61.21 109.263 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.778 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -48.96 -58.31 5.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 73.3 109.334 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.111 HG23 HD13 ' A' ' 39' ' ' LEU . 19.5 mt -40.42 -32.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 71.54 109.255 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.928 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.67 -72.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 74.21 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.459 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 8.3 mtpp -40.87 -67.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.3 109.29 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.63 HG21 ' HZ ' ' A' ' 19' ' ' PHE . 90.7 t -38.7 -35.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 73.23 109.291 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 466' ' ' ALA . 3.0 t -73.83 -51.51 16.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 71.32 110.029 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -52.86 -41.59 64.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 74.31 110.297 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.715 ' SD ' HD21 ' A' ' 71' ' ' LEU . 10.4 mtm -51.44 -24.29 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 73.35 110.975 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.548 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 28.7 t80 -88.9 -25.06 22.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 75.31 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.93 -6.31 51.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 64.4 110.044 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 471' ' ' MET . 8.9 p -102.99 -48.96 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 70.32 109.282 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.459 ' N ' HG13 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -39.59 -36.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 75.34 109.307 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 75.14 110.271 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.993 -0.843 . . . . 64.05 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.6 m -140.64 158.51 43.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 71.04 109.997 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -128.92 157.28 42.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 55.04 110.012 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.413 ' ND2' ' N ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -148.94 61.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 75.33 109.318 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.727 HD13 ' CE2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -118.91 153.14 35.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 52.23 109.327 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.481 HG23 ' OE1' ' A' ' 8' ' ' GLN . 4.6 p -78.1 163.4 25.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 74.31 110.432 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -56.63 -20.8 23.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 65.33 110.329 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -77.04 -26.08 53.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 73.34 110.277 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.481 ' OE1' HG23 ' A' ' 5' ' ' THR . 2.3 mt-30 -84.08 -38.06 21.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 74.05 110.274 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.066 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 2.0 mm -59.64 -31.74 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 73.35 109.282 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.08 -16.53 63.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 74.41 109.278 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 65.2 mt-10 -74.94 -71.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 55.4 110.269 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.727 ' CE2' HD13 ' A' ' 4' ' ' LEU . 47.9 m-85 -43.95 -26.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 63.14 111.012 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 19.5 mttt -49.07 -46.19 44.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 73.44 109.284 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -60.84 -49.78 76.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 71.33 110.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.743 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -59.63 -18.29 40.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 64.21 109.294 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CZ ' ' C ' ' A' ' 64' ' ' GLU . 1.7 t80 -81.97 -41.6 20.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 74.41 111.014 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -21.23 59.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 70.02 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.742 HD21 ' HG3' ' A' ' 461' ' ' LYS . 64.8 mt -49.95 -41.18 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 72.11 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.643 ' HZ ' HG21 ' A' ' 468' ' ' VAL . 3.3 m-85 -110.36 -49.98 3.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.34 110.932 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -54.54 90.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 61.44 109.298 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.504 ' HE3' HG21 ' A' ' 34' ' ' THR . 58.6 mmtt -69.45 -66.92 0.52 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 123.595 1.664 . . . . 61.4 109.283 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.2 p30 -74.76 -17.01 60.7 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 117.884 -1.055 . . . . 63.1 110.016 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m120 63.06 65.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.15 109.288 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 35.1 p30 -99.44 -7.92 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 74.5 109.271 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.8 33.03 8.09 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 50.32 110.97 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.72 110.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 63.11 109.998 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' A' ' 19' ' ' PHE . 94.5 mt -91.21 102.37 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 52.31 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.22 159.01 35.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 73.3 110.029 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.5 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 6.4 t -54.81 -18.87 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 73.54 110.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -29.81 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 73.05 110.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 34' ' ' THR . 31.3 mt-10 -90.13 -28.01 19.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 73.14 110.273 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.965 HD22 HG13 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -74.24 -51.91 13.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 72.23 109.306 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.648 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -67.68 -12.36 60.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 74.04 109.294 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.504 HG21 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -69.55 -30.46 68.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 63.32 110.419 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.512 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.1 t -83.63 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 72.23 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.542 ' SD ' HD13 ' A' ' 41' ' ' LEU . 49.6 mmm -38.22 -53.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 61.13 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 38' ' ' SER . 8.9 ptm180 -59.18 -43.56 92.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 75.21 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.434 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.8 m -55.7 -35.03 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 72.15 110.003 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.051 HD13 HG23 ' A' ' 465' ' ' ILE . 21.1 mt -72.0 -22.59 61.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 75.52 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.85 2.88 8.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 63.31 110.95 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.542 HD13 ' SD ' ' A' ' 36' ' ' MET . 24.8 mt -79.09 -172.13 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 71.04 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 93.1 p -164.26 61.82 0.94 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 53.41 109.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.1 Cg_endo -75.05 152.92 41.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 43.43 110.957 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -102.96 140.42 37.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 61.0 109.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 22.1 tt0 -48.22 -28.21 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 75.45 110.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.59 -50.21 74.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 35.41 109.308 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.878 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.5 mt-10 -77.36 -51.83 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 72.43 110.286 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.965 HG13 HD22 ' A' ' 32' ' ' LEU . 53.1 t -40.47 -31.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 74.4 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 79.7 m-20 -65.64 -65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 70.43 109.288 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.0 -17.84 11.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 73.24 109.253 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 471' ' ' MET . 0.7 OUTLIER -76.56 -56.19 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.02 109.309 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 61' ' ' HIS . 0.9 OUTLIER -74.78 -16.68 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.11 111.025 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -84.86 -7.96 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 72.33 109.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.6 mm-40 -84.23 -13.94 51.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 53.3 110.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.835 HG13 HD22 ' A' ' 71' ' ' LEU . 2.1 mm -117.78 -39.68 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 65.45 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 4.8 t0 -37.57 119.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 73.43 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.515 HG23 ' HG2' ' A' ' 67' ' ' GLU . 72.0 t -94.12 -7.74 10.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 CA-C-O 123.599 1.666 . . . . 61.51 109.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 49.5 p-10 -121.97 -10.79 8.59 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 117.935 -1.031 . . . . 75.11 110.002 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 62.73 36.63 93.57 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 71.12 111.001 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 32.3 p-10 -92.8 27.34 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 44.51 109.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.627 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 54.7 t60 45.58 40.87 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 72.42 109.616 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 40.4 mt-30 -160.54 164.37 32.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 54.43 110.291 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.86 125.03 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 65.45 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.478 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -88.9 172.57 9.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 72.25 110.295 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 1.066 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.0 t80 -72.6 -12.34 61.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 71.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 m -93.68 -46.39 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 74.14 109.986 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 57' ' ' VAL . 14.5 mt-10 -65.81 -51.42 59.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 73.32 110.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.415 ' HE2' ' HB3' ' A' ' 15' ' ' ALA . 90.9 t80 -54.75 -42.72 72.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 72.04 110.964 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.769 HD22 HG23 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -70.09 -32.3 70.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 62.43 109.3 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -72.91 -16.74 61.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 74.02 109.314 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.952 HD21 ' SD ' ' A' ' 471' ' ' MET . 7.2 tp -73.9 -53.66 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 64.14 109.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -56.12 -47.48 78.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 74.51 110.967 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.3 t -71.3 -15.88 62.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 63.15 110.026 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 4.0 ttt-85 -115.26 28.06 8.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 73.53 110.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.843 ' C ' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -126.44 9.3 7.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 75.23 110.312 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.843 HD23 ' C ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -125.72 117.52 23.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 72.15 109.296 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 4.6 mmpt? -120.37 -62.18 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 74.21 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.9 m -143.59 -79.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 43.32 109.997 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.43 45.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 73.54 109.342 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.507 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -84.15 -64.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 74.13 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.55 ' O ' HD23 ' A' ' 85' ' ' LEU . 2.4 t -38.04 -45.82 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 41.02 110.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.8 -50.49 70.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 71.23 110.288 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.435 HE21 HD21 ' A' ' 86' ' ' LEU . 3.3 tp60 -54.31 -59.47 4.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 71.13 110.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' HB2' ' HB1' ' A' ' 466' ' ' ALA . 2.6 pt-20 -59.61 -22.47 61.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 72.14 110.265 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.061 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.3 OUTLIER -67.52 -66.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 42.13 109.299 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.435 HD21 HE21 ' A' ' 83' ' ' GLN . 3.7 pp -54.98 -43.36 73.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 72.22 109.299 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.463 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 23.5 mm-40 -59.17 -38.02 78.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 74.33 110.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB2' ' CB ' ' A' ' 466' ' ' ALA . . . -90.91 -8.79 48.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 73.05 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 85' ' ' LEU . 18.0 t80 -78.37 -59.82 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 62.13 110.955 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -40.41 97.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.32 109.311 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -54.56 -51.0 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 63.24 109.269 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.941 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.0 m-85 -67.44 -44.98 77.39 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 123.613 1.673 . . . . 75.34 110.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -70.91 98.87 1.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.881 -1.057 . . . . 74.13 109.972 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' NZ ' ' O ' ' A' ' 91' ' ' VAL . 5.9 mmtt -84.97 -32.74 22.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 71.44 109.242 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.465 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -76.47 -44.23 36.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 52.34 109.317 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.59 78.5 1.18 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 52.14 111.032 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.576 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.37 11.59 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 73.34 109.367 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.858 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 70.22 18.41 74.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 53.33 110.973 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.858 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -150.55 110.8 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 74.1 109.265 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.586 HD13 ' CB ' ' A' ' 92' ' ' PHE . 67.4 mt -73.1 99.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 75.41 109.287 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.9 p -63.75 168.66 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.12 110.026 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.598 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -42.73 -69.78 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 64.51 109.345 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -41.45 -66.59 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 75.1 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 92' ' ' PHE . 40.2 mt-10 -38.91 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 74.4 110.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.827 HD12 ' HE2' ' A' ' 92' ' ' PHE . 40.8 tp -91.2 -73.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 64.3 109.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.897 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -46.01 -65.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 73.42 109.323 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.58 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -39.93 -46.32 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 55.33 109.603 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.941 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -60.4 -44.25 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 73.12 109.261 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 106' ' ' LYS . 1.5 mm? -67.37 -26.2 66.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 62.21 109.28 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.0 m -81.63 -27.54 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 65.41 110.375 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.435 ' OG ' ' HA ' ' A' ' 108' ' ' VAL . 0.1 OUTLIER -70.47 -6.71 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 51.54 110.011 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.861 HG21 HD11 ' A' ' 465' ' ' ILE . 14.4 pt -113.38 -32.2 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 72.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.5 -34.91 0.82 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 72.52 111.039 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.706 ' HG3' ' HZ2' ' A' ' 461' ' ' LYS . 3.9 mt-10 -64.82 104.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 63.35 110.29 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -105.87 104.64 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 73.24 109.285 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 120' ' ' GLU . 4.6 mp -112.39 143.66 43.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.34 109.287 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' GLU . 30.3 p -71.42 150.79 44.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 62.42 110.409 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.06 -26.2 6.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 65.51 109.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.3 -32.95 26.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 73.33 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.54 ' HB3' HD23 ' A' ' 116' ' ' LEU . 24.7 mm-40 -67.97 -43.79 78.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 75.33 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.897 HG21 ' HG2' ' A' ' 106' ' ' LYS . 6.4 p -69.08 -50.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 52.35 109.306 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.519 ' HA ' HD12 ' A' ' 125' ' ' LEU . 19.7 t0 -48.35 -23.55 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 73.15 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 121' ' ' VAL . 2.2 t70 -91.08 -34.0 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 55.11 109.311 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.528 ' HE3' HD22 ' A' ' 116' ' ' LEU . 22.0 ttm -66.49 -37.42 85.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 71.12 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 102' ' ' ALA . 8.6 mt -61.45 -56.16 23.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.21 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 125' ' ' LEU . 22.2 mtt-85 -37.61 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 74.51 110.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 124' ' ' MET . 25.5 mm-40 -47.36 -50.12 22.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 62.01 110.346 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.433 HG11 ' CB ' ' A' ' 142' ' ' ALA . 32.5 m -131.58 13.02 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 64.04 109.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.1 p -99.44 6.67 45.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 65.4 109.979 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 129' ' ' SER . 47.9 t0 39.79 41.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 74.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 59.32 46.93 93.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.114 . . . . 51.33 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' SER . 29.6 t -103.72 -75.53 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 71.22 110.009 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.05 -16.38 1.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 72.13 111.045 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -139.71 156.54 46.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 73.31 110.266 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.579 HG22 ' HB3' ' A' ' 139' ' ' GLN . 2.2 pt -122.29 121.7 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 73.43 109.322 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.637 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -81.07 -172.17 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 64.55 109.296 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.48 HD13 ' CG ' ' A' ' 89' ' ' PHE . 10.8 tp -60.82 -25.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 74.34 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.42 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 4.7 mm-40 -82.87 -57.47 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 73.42 110.269 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.636 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 27.1 mt-30 -58.38 -53.84 53.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 53.35 110.269 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 136' ' ' ASN . 7.8 t80 -46.25 -42.48 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 63.03 111.048 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 1.061 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -66.25 -30.61 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 73.24 109.339 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -49.6 -33.7 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 75.01 109.286 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.52 -49.67 57.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 74.04 109.342 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.772 ' N ' HD23 ' A' ' 144' ' ' LEU . 1.3 mt -61.23 -15.5 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.34 109.272 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.0 m -124.42 42.47 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 62.02 110.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.652 ' O ' HG21 ' A' ' 150' ' ' THR . 16.6 tptt -119.16 82.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.21 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -122.15 53.1 0.73 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.514 1.134 . . . . 44.1 110.977 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 77.5 p -116.47 -50.58 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 60.42 110.017 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 p -101.59 12.96 36.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 44.31 110.0 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.652 HG21 ' O ' ' A' ' 146' ' ' LYS . 14.5 p -101.39 174.88 5.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 12.4 110.382 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -175.51 -56.87 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.135 . . . . 74.31 111.007 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 5.7 m -155.21 23.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 70.3 110.402 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 19.1 mmm-85 -141.37 -48.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 75.25 110.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.517 ' CB ' HG22 ' A' ' 150' ' ' THR . 41.2 mmt-85 -88.04 -26.19 22.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 72.43 110.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.409 ' N ' ' HB ' ' A' ' 150' ' ' THR . 0.7 OUTLIER -69.65 -22.18 63.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 62.24 109.348 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -89.49 -16.17 31.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 70.53 109.338 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.9 OUTLIER -66.02 -46.33 78.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 71.34 109.325 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -74.99 -31.79 61.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 74.21 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.614 ' HA ' HD12 ' A' ' 463' ' ' LEU . 11.2 t30 -60.37 -41.82 94.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 75.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.742 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -52.72 -29.46 27.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 65.41 109.293 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.628 HG23 ' CE1' ' A' ' 92' ' ' PHE . 9.0 mt -89.46 -30.33 5.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 63.35 109.261 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 460' ' ' ASN . 67.8 mt -50.4 -45.99 55.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 74.02 109.242 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.743 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -69.7 -63.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 54.54 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.051 HG23 HD13 ' A' ' 39' ' ' LEU . 65.4 mt -41.85 -29.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 65.32 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.534 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -79.77 -58.58 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 62.02 109.304 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.757 ' HE2' HD21 ' A' ' 76' ' ' LEU . 1.8 mttp -63.22 -66.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 72.11 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.643 HG21 ' HZ ' ' A' ' 19' ' ' PHE . 96.7 t -39.2 -30.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 53.21 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 467' ' ' LYS . 5.5 t -76.51 -64.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 70.34 110.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 473' ' ' SER . 0.3 OUTLIER -46.08 -50.9 14.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 75.44 110.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.952 ' SD ' HD21 ' A' ' 71' ' ' LEU . 6.6 mtp -38.68 -34.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 74.34 110.966 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.545 ' CD1' HD23 ' A' ' 475' ' ' LEU . 46.7 t80 -78.91 -40.28 32.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 72.31 110.981 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 470' ' ' ARG . 48.4 t -68.6 -8.48 42.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 62.32 109.961 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.46 HG12 ' C ' ' A' ' 471' ' ' MET . 7.1 p -109.79 -42.25 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 61.15 109.316 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.878 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.54 -29.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 63.43 109.336 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . 0.426 ' N ' ' C ' ' A' ' 474' ' ' VAL . 3.4 tmt_? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 64.11 110.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 45.03 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 p -95.78 75.87 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 51.15 110.028 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -151.49 148.36 27.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 53.33 110.028 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -136.14 28.86 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 73.1 109.305 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.776 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 11.0 mt -73.49 168.14 19.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 72.03 109.293 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.3 p -125.14 160.73 28.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 64.34 110.386 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.03 -33.14 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 62.33 110.27 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -70.88 -36.01 72.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 72.53 110.299 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' THR . 11.3 mm100 -72.22 -28.95 63.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 71.44 110.329 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.714 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 3.2 mm -67.06 -20.48 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 72.45 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.06 -12.56 57.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 53.21 109.277 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 45.3 mt-10 -76.05 -68.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 73.23 110.278 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.776 ' CZ ' HD13 ' A' ' 4' ' ' LEU . 31.0 m-85 -44.02 -25.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 71.43 110.94 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -55.45 -46.47 76.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 74.41 109.353 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.455 ' HB3' ' CD ' ' A' ' 461' ' ' LYS . 6.7 mm-40 -63.52 -46.25 86.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 52.05 110.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.72 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -65.88 -15.33 62.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 75.23 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 2.0 t80 -80.6 -40.54 25.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 61.21 111.029 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -21.71 62.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 53.1 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.019 HD21 ' HG3' ' A' ' 461' ' ' LYS . 58.4 mt -48.25 -41.46 27.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 42.4 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.873 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 6.5 m-85 -110.38 -40.77 4.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 74.52 111.023 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -63.47 83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 73.41 109.314 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HE3' HG21 ' A' ' 34' ' ' THR . 56.1 mmtt -59.45 -67.15 0.41 Allowed 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 123.583 1.658 . . . . 73.02 109.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -77.69 -22.66 50.18 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 117.917 -1.04 . . . . 72.32 109.978 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 72.02 64.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 72.4 109.3 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -100.68 5.02 43.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 71.3 109.312 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.92 34.26 38.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 51.24 111.044 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.59 112.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 73.13 109.976 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 19' ' ' PHE . 64.9 mt -93.71 99.78 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 63.45 109.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -66.49 -179.31 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 75.41 109.997 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.415 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 5.2 t -69.07 -39.92 78.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 72.24 109.985 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -20.55 66.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 61.34 110.015 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.651 ' O ' HG22 ' A' ' 34' ' ' THR . 41.5 mt-10 -90.59 -45.71 8.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 74.12 110.296 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.029 HD22 HG13 ' A' ' 48' ' ' VAL . 2.3 tt -61.87 -48.21 81.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 63.35 109.242 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -68.8 -11.94 60.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 41.33 109.347 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -70.26 -29.25 65.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 75.24 110.395 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 2.2 t -91.61 -60.62 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 71.32 109.295 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.593 ' HE1' ' HB2' ' A' ' 472' ' ' PHE . 82.2 mtp -41.35 -47.01 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 44.41 110.975 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' SER . 8.8 ptm180 -63.05 -40.42 97.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 70.15 110.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.425 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 22.1 m -61.21 -33.42 73.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 72.11 110.012 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.607 ' CD1' HG23 ' A' ' 465' ' ' ILE . 25.3 mt -70.7 -22.57 62.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 72.54 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.5 4.59 8.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 71.11 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.556 HD13 ' HE2' ' A' ' 36' ' ' MET . 17.3 mt -83.26 -177.53 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 72.1 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.474 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 6.3 t -163.53 60.57 0.92 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 74.3 109.974 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.541 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.2 Cg_endo -75.01 117.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 61.21 111.031 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 m -58.59 140.02 54.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 45.23 109.981 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 27.3 tt0 -46.52 -27.88 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 75.5 110.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.73 76.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 61.41 109.28 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HB3' HD21 ' A' ' 475' ' ' LEU . 3.0 mt-10 -75.25 -49.72 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 62.21 110.309 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.029 HG13 HD22 ' A' ' 32' ' ' LEU . 55.2 t -40.41 -30.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 72.3 109.264 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' OD1' ' CE1' ' A' ' 61' ' ' HIS . 73.5 m-20 -72.9 -66.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 53.12 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.639 ' HB3' HD13 ' A' ' 475' ' ' LEU . 0.2 OUTLIER -53.11 -18.6 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 61.02 109.302 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.758 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.6 tm? -79.22 -53.62 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 73.12 109.321 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.448 ' HB3' HD13 ' A' ' 32' ' ' LEU . 15.1 ptm -80.28 -6.26 57.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 61.11 110.986 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' ASN . 3.9 m-80 -92.38 -7.99 46.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 75.42 109.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.722 ' C ' HD13 ' A' ' 55' ' ' ILE . 6.4 mm-40 -89.04 -8.25 54.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 54.24 110.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.722 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.8 mm -117.51 -45.75 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 51.23 109.367 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 3.3 t0 -38.96 120.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 72.55 109.318 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.76 -15.62 12.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-O 123.6 1.667 . . . . 62.13 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 48.2 p-10 -118.76 -7.7 10.46 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.88 -1.057 . . . . 62.0 109.975 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.8 41.43 94.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 73.35 111.022 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.451 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.4 p-10 -89.9 17.65 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 72.52 109.313 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.644 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 50.5 t60 59.87 30.91 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 72.53 109.583 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 47.6 mt-30 -156.09 149.56 24.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 73.43 110.268 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -104.28 127.26 58.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 64.32 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -90.66 171.1 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 73.13 110.302 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.714 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 2.4 t80 -70.63 -12.69 61.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 65.15 110.987 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.5 t -92.36 -47.53 7.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 71.44 110.017 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.35 -51.36 61.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 63.52 110.28 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.84 -44.46 73.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 63.34 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.735 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.96 -33.29 73.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 74.31 109.316 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -71.28 -24.38 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 53.04 109.294 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.7 HD21 ' SD ' ' A' ' 471' ' ' MET . 27.5 tp -64.74 -50.56 66.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 63.44 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -58.26 -14.1 6.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 73.21 111.025 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.3 t -130.76 30.01 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 73.13 110.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.5 OUTLIER -149.35 19.6 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 70.33 110.31 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -148.69 30.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 73.14 110.311 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.89 HD22 ' HA ' ' A' ' 80' ' ' ASP . 68.5 mt -153.43 144.47 22.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 61.15 109.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -134.28 -87.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 64.15 109.294 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.9 m -76.01 -83.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 72.11 110.029 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.448 ' ND2' ' OE1' ' A' ' 83' ' ' GLN . 0.3 OUTLIER -75.56 58.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 60.21 109.315 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.89 ' HA ' HD22 ' A' ' 76' ' ' LEU . 3.3 t70 -59.05 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 62.23 109.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.512 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 0.4 OUTLIER -44.18 -55.29 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 75.42 109.991 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.15 -41.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 64.23 110.331 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.477 ' HB3' HD21 ' A' ' 76' ' ' LEU . 2.9 tp60 -61.58 -65.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 65.23 110.357 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.492 ' OE1' ' CD1' ' A' ' 463' ' ' LEU . 5.3 pt-20 -59.39 -14.22 11.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 63.35 110.3 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.872 HD22 HD12 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -77.31 -49.65 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 74.41 109.29 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 86' ' ' LEU . 1.9 pp -74.13 -29.34 61.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 73.23 109.311 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.632 ' HB2' ' HB1' ' A' ' 466' ' ' ALA . 90.4 mt-10 -69.61 -34.41 74.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 74.13 110.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -91.09 -10.42 42.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 64.44 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.463 ' HA ' HD11 ' A' ' 100' ' ' ILE . 33.2 t80 -75.21 -60.49 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 75.52 111.017 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 5.5 ptpt -63.39 -43.04 98.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 73.02 109.309 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.521 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -51.46 -50.85 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 64.43 109.334 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.927 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 3.3 m-85 -68.32 -44.42 75.42 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 123.65 1.69 . . . . 64.11 110.997 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -72.01 98.7 2.12 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.862 -1.066 . . . . 74.41 110.011 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -29.87 20.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.4 109.326 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -77.13 -49.86 14.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 54.3 109.256 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 91.15 68.49 1.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.108 . . . . 62.21 111.004 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.559 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -126.35 1.43 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 74.11 109.244 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.808 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 81.46 13.55 80.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.094 . . . . 72.1 111.034 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.808 HD23 ' O ' ' A' ' 98' ' ' GLY . 1.5 mt -148.57 114.44 5.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 62.32 109.283 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.615 HD13 ' CB ' ' A' ' 92' ' ' PHE . 65.8 mt -74.61 102.72 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 72.33 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.1 p -66.92 175.86 2.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 73.12 109.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 125' ' ' LEU . . . -48.56 -69.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 72.32 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.481 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -41.49 -66.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 44.11 109.315 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ALA . 40.2 mt-10 -37.96 -30.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 75.11 110.257 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.858 HD23 HG23 ' A' ' 121' ' ' VAL . 1.5 tp -88.75 -72.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 74.25 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.85 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -47.25 -63.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 70.04 109.321 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.586 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -39.5 -42.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 71.43 109.612 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.927 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.2 t -67.11 -47.28 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 73.24 109.315 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 106' ' ' LYS . 3.0 mm? -57.13 -35.6 69.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 73.31 109.258 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.8 m -82.09 -13.78 56.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 63.41 110.355 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -3.72 57.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 73.12 109.976 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.874 HG21 HD11 ' A' ' 465' ' ' ILE . 10.8 pt -113.74 -33.3 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 74.35 109.278 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.74 -36.88 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 64.11 110.978 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 24.3 mm-40 -50.54 173.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 64.22 110.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 114' ' ' GLU . 21.3 mtpp -154.99 114.38 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 72.13 109.28 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 5.8 mt -131.77 130.44 41.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 64.22 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -67.85 159.4 30.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 71.32 110.388 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.449 ' HA ' HG12 ' A' ' 121' ' ' VAL . 0.6 OUTLIER -57.51 -29.7 64.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 72.31 109.273 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.07 -20.08 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 72.01 109.278 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 116' ' ' LEU . 6.0 mt-10 -86.16 -29.56 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 75.53 110.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.946 ' O ' HD22 ' A' ' 125' ' ' LEU . 9.6 p -83.93 -54.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 71.14 109.325 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.565 ' N ' HG13 ' A' ' 121' ' ' VAL . 14.4 t70 -47.46 -24.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.31 109.301 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 121' ' ' VAL . 6.2 t0 -91.23 -35.11 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 65.31 109.323 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 121' ' ' VAL . 21.7 ttm -55.68 -34.71 65.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 72.43 110.959 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.946 HD22 ' O ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -69.76 -55.08 10.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 51.45 109.266 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 125' ' ' LEU . 31.3 mtt180 -35.55 -33.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 73.14 110.286 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.0 mm-40 -43.61 -50.21 7.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 70.04 110.335 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 23.1 m -132.05 10.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 73.34 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.5 p -97.56 17.06 18.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 75.22 109.975 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.5 t0 40.77 45.11 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 71.41 109.266 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 57.48 43.14 94.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 72.5 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 129' ' ' SER . 30.9 t -103.61 -84.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 75.4 109.998 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.68 -24.28 0.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 73.11 110.987 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -120.4 156.75 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 74.32 110.358 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.614 HD11 HD13 ' A' ' 105' ' ' LEU . 4.7 pt -130.05 121.2 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 74.11 109.279 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.737 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -85.98 177.25 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 75.42 109.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.765 HG23 HE21 ' A' ' 138' ' ' GLN . 8.9 tp -51.07 -22.38 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 71.41 109.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.765 HE21 HG23 ' A' ' 137' ' ' ILE . 7.1 mm-40 -85.62 -57.11 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 71.54 110.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.652 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 22.4 mt-30 -62.53 -57.3 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 72.22 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.61 ' CZ ' HD11 ' A' ' 144' ' ' LEU . 21.7 t80 -42.95 -50.61 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 74.1 110.996 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.833 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -53.31 -35.94 60.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 63.22 109.291 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -50.01 -34.08 20.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 60.52 109.263 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.436 ' CD1' HD12 ' A' ' 135' ' ' ILE . 1.4 mt -72.93 -43.98 61.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 61.33 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.872 HD12 HD22 ' A' ' 85' ' ' LEU . 11.0 mt -86.83 11.77 12.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 72.54 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 141' ' ' ALA . 22.9 t -118.6 -34.46 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 45.2 109.979 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 -67.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 65.13 109.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 106.33 -115.64 4.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 73.52 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.415 ' H ' HG23 ' A' ' 150' ' ' THR . 11.9 t 176.97 113.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 73.12 110.003 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 59.9 m 56.68 57.65 4.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 42.42 110.014 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.46 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 43.7 p -106.19 -171.97 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 65.3 110.369 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.88 -81.45 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.579 1.174 . . . . 74.31 110.986 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 2.4 m -135.41 9.5 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 73.32 110.423 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -119.88 -47.8 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 61.04 110.289 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.46 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 16.5 mmt180 -82.71 -28.27 30.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 74.12 110.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -23.24 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 72.32 109.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -88.55 -16.07 33.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 74.32 109.27 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.5 OUTLIER -68.85 -51.0 45.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 55.44 109.315 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.447 ' HB2' ' CD2' ' A' ' 144' ' ' LEU . 4.1 ptp180 -60.72 -38.18 84.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 74.34 110.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.873 ' HA ' HD22 ' A' ' 463' ' ' LEU . 11.1 t30 -59.5 -45.38 91.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 73.34 109.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 1.019 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -44.38 -27.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 73.4 109.324 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.658 HG23 ' HE1' ' A' ' 92' ' ' PHE . 56.4 mt -89.33 -40.07 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 65.21 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.873 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.2 OUTLIER -41.08 -34.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 73.12 109.288 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.72 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -83.52 -47.61 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 70.02 109.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.874 HD11 HG21 ' A' ' 112' ' ' ILE . 58.3 mt -50.62 -22.57 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 75.42 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.27 -72.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 60.21 109.308 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.452 ' HZ3' ' HG3' ' A' ' 72' ' ' MET . 21.2 mttp -45.44 -65.04 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 74.51 109.25 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.873 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 95.7 t -38.72 -30.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 75.43 109.279 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.3 t -80.03 -68.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 60.21 109.979 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.531 ' CD ' ' CG2' ' A' ' 474' ' ' VAL . 0.0 OUTLIER -43.12 -48.05 6.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 73.22 110.264 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.7 ' SD ' HD21 ' A' ' 71' ' ' LEU . 1.2 mtm -37.26 -40.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 65.42 111.001 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.673 ' HA ' HD23 ' A' ' 51' ' ' LEU . 7.3 t80 -56.55 -46.92 80.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 65.31 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 470' ' ' ARG . 1.0 OUTLIER -69.03 -31.81 70.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 61.22 110.002 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.531 ' CG2' ' CD ' ' A' ' 470' ' ' ARG . 40.5 t -66.74 -46.06 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 74.1 109.33 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -49.27 -36.95 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 73.04 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 60.45 110.285 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.008 -0.837 . . . . 43.24 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.0 m -118.23 163.61 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 60.25 110.01 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -170.03 147.02 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 74.51 109.983 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.8 25.31 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 51.43 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.908 HD13 ' CE2' ' A' ' 12' ' ' PHE . 27.3 mt -66.77 153.8 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 74.52 109.26 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.2 p -125.45 167.19 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 64.41 110.379 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -45.98 -25.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 74.44 110.329 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 456' ' ' LYS . 6.4 tt0 -72.21 -39.95 68.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 64.15 110.276 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' THR . 6.1 mm-40 -69.4 -36.83 77.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 54.23 110.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.558 ' N ' HD13 ' A' ' 9' ' ' ILE . 3.6 mm -59.47 -47.76 89.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 52.35 109.24 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.74 -18.42 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 73.4 109.265 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 9.9 mm-40 -83.14 -72.32 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 62.32 110.346 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.908 ' CE2' HD13 ' A' ' 4' ' ' LEU . 39.9 m-85 -51.05 -48.78 61.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 70.14 111.033 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -41.71 -39.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 52.4 109.325 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.865 ' OE2' ' HB1' ' A' ' 457' ' ' ALA . 69.1 mt-10 -69.45 -43.55 73.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 72.33 110.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -62.19 -20.13 63.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 73.53 109.293 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.597 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 6.9 t80 -76.18 -35.15 59.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 72.33 111.01 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.28 -23.65 66.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 31.42 109.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.927 HD21 ' HG3' ' A' ' 461' ' ' LYS . 59.8 mt -45.43 -39.57 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 61.44 109.293 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.707 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 16.8 m-85 -107.37 -56.26 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 75.24 111.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.597 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -46.78 95.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 72.55 109.328 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' PHE . 42.4 mmtt -68.36 -67.58 0.46 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 123.682 1.706 . . . . 74.01 109.281 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 22' ' ' ASP . 2.7 p30 -78.64 -2.52 39.45 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 117.874 -1.06 . . . . 71.32 109.978 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m120 48.47 62.59 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 55.25 109.325 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.8 p30 -93.0 -26.71 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 61.52 109.325 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . 112.63 32.9 2.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 61.22 110.959 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.28 115.02 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 75.52 110.027 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.548 HD13 ' HB2' ' A' ' 19' ' ' PHE . 89.2 mt -93.98 100.24 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 70.41 109.323 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 p -64.89 168.61 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 62.13 110.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -67.93 -17.52 64.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 73.34 109.979 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -26.94 28.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 73.32 109.993 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' ' HB ' ' A' ' 34' ' ' THR . 45.4 mt-10 -90.66 -32.94 16.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 73.12 110.264 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.051 HD22 HG13 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -69.93 -51.32 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 54.14 109.325 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . -68.11 -12.75 61.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 72.32 109.321 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -72.74 -26.19 61.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 73.31 110.397 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.668 HG11 ' CE2' ' A' ' 19' ' ' PHE . 1.6 t -86.45 -56.69 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 72.14 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.623 ' CE ' HD13 ' A' ' 41' ' ' LEU . 50.9 mmm -42.41 -50.58 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 53.43 110.982 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' SER . 7.6 ptm180 -62.86 -40.67 98.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 73.24 110.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 68.5 m -56.41 -19.19 13.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 62.42 110.011 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.052 HD13 HG23 ' A' ' 465' ' ' ILE . 19.4 mt -92.59 -21.8 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 73.12 109.354 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.74 3.2 8.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 74.14 111.049 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.623 HD13 ' CE ' ' A' ' 36' ' ' MET . 35.3 mt -80.29 -178.78 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 73.12 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.476 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.1 t -161.3 60.56 1.24 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.41 109.964 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 73.22 110.98 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.99 140.37 49.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 53.02 110.012 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -48.69 -28.25 3.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 73.23 110.351 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.9 -49.64 75.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 75.1 109.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HB3' HD21 ' A' ' 475' ' ' LEU . 4.1 mt-10 -74.86 -50.34 17.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 75.4 110.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.051 HG13 HD22 ' A' ' 32' ' ' LEU . 53.6 t -40.9 -37.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 33.34 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 92.6 m-20 -65.61 -62.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 71.23 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.46 -14.13 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 75.14 109.302 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.749 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.5 tm? -78.91 -54.51 5.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 73.11 109.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.496 ' CB ' HD11 ' A' ' 63' ' ' ILE . 7.3 ptm -79.55 -14.03 59.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 74.13 110.997 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 8.3 m-80 -84.53 -8.03 59.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 72.33 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -88.75 -12.49 42.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 41.22 110.301 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.607 HG21 HD22 ' A' ' 71' ' ' LEU . 2.7 mm -116.53 -37.79 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.31 109.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 5.1 t0 -38.24 120.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.13 109.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 19.9 t -83.16 -21.04 9.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-O 123.593 1.664 . . . . 60.42 109.322 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.501 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 49.8 p30 -113.25 -5.78 13.61 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.912 -1.042 . . . . 54.44 110.011 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 55.62 42.97 85.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 72.12 111.005 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 33.6 p-10 -92.52 13.88 18.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 72.23 109.284 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.673 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 22.2 t60 66.4 26.07 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 75.31 109.594 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 38.7 mt-30 -150.77 164.23 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 73.11 110.348 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.496 HD11 ' CB ' ' A' ' 52' ' ' MET . 0.2 OUTLIER -113.29 129.78 68.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 73.01 109.28 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.49 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -96.12 175.5 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 74.13 110.319 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.7 t80 -75.82 -12.32 60.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 70.31 110.991 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -92.35 -30.87 15.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 53.35 109.976 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 18.1 mt-10 -84.17 -52.22 6.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 71.12 110.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -54.17 -48.22 71.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 71.24 110.975 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -67.09 -32.44 73.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 60.35 109.336 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.17 -15.74 58.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 65.32 109.319 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.925 HD21 ' SD ' ' A' ' 471' ' ' MET . 9.6 tp -75.57 -44.26 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 72.35 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -61.6 -36.26 80.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 75.51 111.011 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 p -88.43 15.63 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 60.33 110.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -146.86 39.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 72.43 110.326 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.551 ' C ' HD12 ' A' ' 76' ' ' LEU . 4.6 mm100 -143.36 20.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.23 110.266 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.885 HD11 ' HE3' ' A' ' 467' ' ' LYS . 6.4 mp -129.98 136.42 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 43.21 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.26 -86.82 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 72.22 109.282 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.39 -80.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 72.55 109.977 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.46 43.7 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 75.5 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.611 ' HB2' HD23 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -51.86 -90.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 65.15 109.317 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 80' ' ' ASP . 0.4 OUTLIER -35.75 -59.53 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 62.0 110.004 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -39.33 -48.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 71.22 110.275 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.528 HE21 HD21 ' A' ' 86' ' ' LEU . 2.8 tp60 -56.7 -64.31 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 75.12 110.314 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 7.9 pt-20 -59.26 -15.22 14.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 63.31 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.89 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -77.31 -67.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 71.14 109.233 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.528 HD21 HE21 ' A' ' 83' ' ' GLN . 2.3 pp -51.57 -38.24 53.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.41 109.236 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 29.9 mm-40 -69.93 -59.94 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 74.31 110.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.739 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -61.47 -13.86 24.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 70.24 109.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 85' ' ' LEU . 55.1 t80 -85.11 -42.07 15.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.32 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -84.53 -9.14 58.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 62.42 109.298 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -89.59 -45.08 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.23 109.292 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.886 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 2.1 m-85 -68.35 -41.78 80.22 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 123.614 1.674 . . . . 74.02 110.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -72.71 100.84 2.92 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.876 -1.059 . . . . 73.0 109.988 179.71 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.47 -35.03 23.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 75.13 109.276 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.455 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -73.36 -44.54 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 65.23 109.281 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.92 78.71 1.09 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 62.44 110.974 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.553 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -136.72 8.69 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 75.24 109.302 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.883 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 75.05 15.76 80.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 75.13 111.034 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 98' ' ' GLY . 1.1 mt -149.95 110.63 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 72.54 109.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.622 HD13 ' CB ' ' A' ' 92' ' ' PHE . 64.0 mt -73.82 96.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 63.53 109.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.8 t -59.9 174.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 62.34 109.98 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -50.53 -66.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 40.33 109.255 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.454 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . . . -42.25 -65.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 54.52 109.314 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 93' ' ' ASP . 24.3 mt-10 -39.18 -28.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 75.01 110.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.458 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -90.59 -72.86 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 72.11 109.324 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.741 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -45.25 -59.36 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 70.41 109.296 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.712 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -44.82 -38.38 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 73.2 109.602 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.886 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -72.84 -37.85 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 75.33 109.352 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.545 HD12 ' CB ' ' A' ' 114' ' ' GLU . 1.6 mm? -64.31 -36.01 82.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 73.41 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.441 HG23 ' HZ2' ' A' ' 115' ' ' LYS . 2.2 m -74.58 -32.34 62.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 51.23 110.388 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.446 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -60.21 -14.92 20.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 72.04 109.992 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.964 HG21 HD11 ' A' ' 465' ' ' ILE . 10.4 pt -109.55 -32.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 73.31 109.277 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.03 -40.12 0.76 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 65.15 111.06 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.545 ' CB ' HD12 ' A' ' 109' ' ' LEU . 22.9 mm-40 -49.18 111.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 70.21 110.309 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HZ2' HG23 ' A' ' 110' ' ' THR . 13.2 mttm -110.59 97.16 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 75.33 109.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 120' ' ' GLU . 5.3 mp -113.86 146.96 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 53.42 109.325 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.9 p -76.61 155.51 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 61.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.47 -24.65 32.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.52 109.317 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.82 -28.11 28.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.1 109.303 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.516 ' HB3' HD23 ' A' ' 116' ' ' LEU . 33.3 mm-40 -75.29 -49.33 19.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 74.23 110.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.741 HG21 ' HG2' ' A' ' 106' ' ' LYS . 9.8 p -63.05 -52.89 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 63.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.535 ' N ' HG13 ' A' ' 121' ' ' VAL . 4.2 t70 -47.53 -24.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 74.14 109.284 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 121' ' ' VAL . 3.1 t0 -91.15 -35.59 14.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 74.25 109.308 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.462 ' HE3' HD22 ' A' ' 116' ' ' LEU . 33.1 ttm -60.41 -35.14 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 74.41 111.022 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 122' ' ' ASP . 6.2 mt -63.56 -51.44 65.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 71.34 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 29.8 mtt180 -37.5 -30.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 70.13 110.335 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 89.4 mt-10 -44.75 -49.31 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 72.14 110.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 20.8 m -130.65 8.9 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 31.21 109.308 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 132' ' ' SER . 1.3 p -97.21 1.69 50.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 70.24 109.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.4 t70 42.14 28.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.44 109.299 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 129' ' ' SER . . . 72.51 45.33 37.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.117 . . . . 63.02 111.035 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 129' ' ' SER . 0.9 OUTLIER -96.83 -70.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 75.32 109.951 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.58 -13.12 1.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 53.32 110.984 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.432 ' O ' ' NE2' ' A' ' 139' ' ' GLN . 26.1 mt-10 -149.51 161.55 41.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 74.42 110.277 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.578 HG22 HE21 ' A' ' 139' ' ' GLN . 5.4 pt -127.84 129.92 69.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 60.35 109.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.574 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -95.69 -174.99 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 54.31 109.298 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.576 HG23 ' NE2' ' A' ' 138' ' ' GLN . 11.0 tp -56.36 -17.39 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 75.11 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.576 ' NE2' HG23 ' A' ' 137' ' ' ILE . 4.1 mm-40 -88.87 -52.17 5.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 60.31 110.291 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.689 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 29.7 mt-30 -68.74 -56.77 6.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 73.53 110.305 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.494 ' CD2' HD13 ' A' ' 85' ' ' LEU . 19.4 t80 -44.15 -47.29 9.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 73.12 111.001 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.89 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -64.02 -30.68 71.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 43.31 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -52.69 -23.11 6.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 62.43 109.275 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.45 -49.55 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.44 109.308 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.542 HD12 HD22 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -86.7 11.09 13.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 63.25 109.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 141' ' ' ALA . 34.2 t -113.77 -22.49 10.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 74.12 110.033 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.645 ' O ' HG21 ' A' ' 150' ' ' THR . 0.1 OUTLIER -173.52 -77.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 74.43 109.361 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 148' ' ' SER . . . 102.2 137.46 9.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 72.35 111.024 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.41 ' OG ' ' HA ' ' A' ' 127' ' ' GLU . 0.4 OUTLIER -38.32 -36.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.75 . . . . 54.52 109.962 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 12.2 m -166.3 115.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 72.42 109.967 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.645 HG21 ' O ' ' A' ' 146' ' ' LYS . 7.3 p -142.85 114.6 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 74.5 110.425 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.426 ' O ' ' CE ' ' A' ' 456' ' ' LYS . . . -118.64 -80.91 0.73 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 50.35 110.966 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 7.1 m -135.71 9.77 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 52.21 110.402 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.44 -51.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 74.12 110.265 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -77.46 -18.29 57.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 70.13 110.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.656 ' HB2' HH21 ' A' ' 459' ' ' ARG . 0.1 OUTLIER -75.85 -18.24 59.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 73.44 109.269 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . 0.865 ' HB1' ' OE2' ' A' ' 14' ' ' GLU . . . -86.19 -16.15 38.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.44 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.4 OUTLIER -67.96 -51.43 47.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 55.23 109.282 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.656 HH21 ' HB2' ' A' ' 456' ' ' LYS . 1.5 ptp180 -60.25 -37.61 80.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 74.43 110.269 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.547 ' HA ' HD22 ' A' ' 463' ' ' LEU . 16.2 t30 -59.55 -34.9 73.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 53.24 109.273 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.927 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -53.73 -28.69 35.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 72.05 109.292 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.634 HG23 ' HE1' ' A' ' 92' ' ' PHE . 25.6 mt -90.07 -30.13 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 54.35 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.627 HD13 ' O ' ' A' ' 459' ' ' ARG . 6.5 mp -50.99 -37.81 47.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 72.51 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.575 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -77.53 -54.39 6.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 65.32 109.298 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.052 HG23 HD13 ' A' ' 39' ' ' LEU . 10.0 mt -51.7 -25.33 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 54.01 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.739 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.22 -60.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.55 109.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.885 ' HE3' HD11 ' A' ' 76' ' ' LEU . 7.0 mttm -58.13 -65.53 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 74.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 67.4 t -38.71 -30.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.23 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.9 OUTLIER -79.3 -51.52 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 72.33 110.031 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 467' ' ' LYS . 3.3 tmt_? -53.78 -41.25 67.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 70.44 110.341 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.925 ' SD ' HD21 ' A' ' 71' ' ' LEU . 6.3 mtp -50.76 -20.99 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 75.21 110.967 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 26.2 t80 -89.54 -26.91 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 73.2 111.012 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.4 t -90.56 -3.23 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.34 109.984 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 471' ' ' MET . 9.9 p -106.43 -48.69 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 70.42 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.454 ' N ' HG13 ' A' ' 474' ' ' VAL . 0.1 OUTLIER -43.07 -34.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 73.12 109.279 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 63.55 110.278 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 74.13 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 m -127.95 136.77 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 62.32 110.026 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -124.4 159.31 30.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 75.34 109.996 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.46 24.64 7.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 75.31 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.79 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 9.6 mt -101.18 141.37 34.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 63.23 109.261 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLN . 9.3 p -98.51 162.25 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 71.32 110.36 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -40.97 -39.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 61.34 110.323 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -67.36 -44.37 79.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 64.44 110.281 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.444 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.8 mm100 -57.7 -31.42 66.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.52 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.766 ' N ' HD13 ' A' ' 9' ' ' ILE . 1.3 mm -69.68 -22.19 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 51.21 109.325 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.58 -12.71 57.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 64.4 109.311 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 460' ' ' ASN . 66.2 mt-10 -76.3 -62.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 71.31 110.273 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.79 ' CZ ' HD13 ' A' ' 4' ' ' LEU . 32.5 m-85 -53.54 -21.76 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 74.03 111.022 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.576 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 10.3 mmtt -51.72 -47.39 64.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 73.34 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.74 ' HG3' ' HB1' ' A' ' 457' ' ' ALA . 6.2 mm-40 -69.9 -45.82 66.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.02 110.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.567 ' O ' ' CZ ' ' A' ' 68' ' ' PHE . . . -60.91 -15.49 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 71.4 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 4.3 t80 -85.42 -41.58 15.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 74.21 110.963 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -24.31 64.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 14.42 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.834 HD21 ' HG2' ' A' ' 461' ' ' LYS . 73.2 mt -44.33 -40.59 5.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 72.34 109.286 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.839 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 7.6 m-85 -112.39 -36.91 5.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 74.44 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -67.51 86.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.11 109.312 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.63 ' HE3' HG21 ' A' ' 34' ' ' THR . 32.2 mmtt -62.52 -66.61 0.51 Allowed 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.6 1.667 . . . . 71.33 109.259 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -75.84 -11.38 59.97 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.878 -1.058 . . . . 75.32 110.004 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 55.94 57.78 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 72.45 109.298 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 11.3 p30 -91.69 -21.33 20.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 72.5 109.325 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 106.05 34.56 3.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.114 . . . . 62.11 111.005 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.97 112.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 71.23 110.007 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' A' ' 19' ' ' PHE . 61.9 mt -95.25 99.2 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 52.24 109.281 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -67.49 161.95 24.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 60.53 110.044 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 2.2 t -57.04 -17.27 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 54.24 109.999 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.56 -25.39 26.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 54.32 109.993 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.719 ' O ' HG22 ' A' ' 34' ' ' THR . 42.9 mt-10 -90.67 -33.34 15.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 65.22 110.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.031 HD22 HG13 ' A' ' 48' ' ' VAL . 1.3 tt -68.2 -52.59 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 72.33 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.616 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -66.67 -12.13 56.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.43 109.342 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -68.82 -26.06 64.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 44.12 110.353 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.0 t -89.8 -61.45 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 54.1 109.293 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.763 ' HE2' HD13 ' A' ' 41' ' ' LEU . 82.3 mtp -41.12 -53.6 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 55.15 111.022 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.484 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.4 ptp180 -60.27 -42.69 95.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 73.12 110.322 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 37.1 m -56.09 -36.28 67.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 65.15 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.977 HD13 HG23 ' A' ' 465' ' ' ILE . 20.1 mt -69.77 -22.54 63.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 61.24 109.302 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.1 2.45 8.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 73.54 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.763 HD13 ' HE2' ' A' ' 36' ' ' MET . 5.9 mt -77.42 -172.82 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 54.51 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -163.39 61.65 1.05 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 75.1 109.957 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 139.87 24.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 73.32 111.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 p -84.14 140.47 31.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 55.43 110.043 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 24.7 tt0 -51.87 -27.56 13.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 70.24 110.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.97 74.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 75.41 109.304 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.638 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.4 mt-10 -75.31 -51.58 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 70.22 110.297 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.031 HG13 HD22 ' A' ' 32' ' ' LEU . 55.5 t -40.47 -34.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 73.05 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 87.8 m-20 -65.0 -64.93 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 53.22 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -58.22 -16.57 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 73.14 109.271 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.979 HD11 ' HE3' ' A' ' 471' ' ' MET . 1.3 tm? -77.41 -55.37 5.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 71.42 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 27' ' ' ILE . 1.3 ptp -77.66 -14.0 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 63.15 111.008 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -86.45 -8.02 57.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 55.31 109.288 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.963 ' C ' HD13 ' A' ' 55' ' ' ILE . 6.3 mm-40 -91.02 -7.55 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 73.5 110.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.963 HD13 ' C ' ' A' ' 54' ' ' GLU . 1.1 mm -117.73 -46.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 55.31 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 3.5 t0 -38.68 120.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 74.04 109.318 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.565 HG23 ' HG2' ' A' ' 67' ' ' GLU . 54.7 t -81.98 -18.48 11.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.631 1.682 . . . . 54.33 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 45.8 p-10 -114.4 -7.25 12.89 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.919 -1.039 . . . . 63.14 109.994 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 57.26 41.04 92.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 64.24 110.975 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.2 p-10 -90.15 17.32 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 71.02 109.258 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.656 ' CD2' ' O ' ' A' ' 61' ' ' HIS . 55.2 t60 59.25 34.4 23.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 63.21 109.596 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 44.8 mt-30 -158.81 148.94 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 72.24 110.334 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.67 127.42 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 74.24 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.562 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -91.57 179.44 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 72.05 110.297 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.74 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 1.9 t80 -76.16 -12.88 60.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 71.42 111.025 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.3 t -94.73 -40.65 9.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 55.04 110.011 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.565 ' HG2' HG23 ' A' ' 57' ' ' VAL . 45.2 mt-10 -69.83 -50.02 46.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 43.32 110.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 79.3 t80 -57.71 -40.81 80.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.15 110.981 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.728 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -69.99 -33.59 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 73.1 109.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 74' ' ' ARG . . . -74.29 -16.14 60.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.584 HD12 ' HG2' ' A' ' 75' ' ' GLN . 58.9 tp -75.14 -48.83 21.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.34 109.273 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.744 ' HG3' ' HZ3' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -57.11 -36.68 70.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 73.04 110.99 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -93.25 11.82 26.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 71.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.4 OUTLIER -140.85 26.46 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 72.33 110.308 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.632 ' N ' HD23 ' A' ' 76' ' ' LEU . 6.8 mm100 -118.03 42.17 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 75.22 110.344 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.795 ' N ' HD23 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -141.63 133.43 27.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 72.22 109.28 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -125.86 -64.1 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 75.24 109.267 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.9 m -134.83 -71.67 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 74.13 109.975 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.72 57.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 60.43 109.329 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.492 ' CB ' ' HA ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -89.38 -58.39 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 72.34 109.269 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' ASP . 30.3 t -38.84 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 72.22 110.02 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' ASP . 16.3 mt-10 -85.77 -50.41 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 74.01 110.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.574 ' NE2' HD11 ' A' ' 86' ' ' LEU . 3.8 mm-40 -50.62 -40.26 52.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 70.23 110.267 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -68.93 -28.65 66.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 74.55 110.263 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.853 ' HB3' HD11 ' A' ' 137' ' ' ILE . 8.2 mt -70.63 -58.36 3.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 70.54 109.289 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.574 HD11 ' NE2' ' A' ' 83' ' ' GLN . 2.8 pp -60.79 -45.14 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 44.53 109.324 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.3 mm-40 -54.33 -45.17 72.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 72.05 110.311 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.881 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -76.89 -28.8 55.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 72.55 109.317 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.449 ' HA ' HD11 ' A' ' 100' ' ' ILE . 9.0 t80 -63.48 -64.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 74.34 111.037 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -29.95 69.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 65.31 109.273 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.2 t -63.57 -54.59 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 72.03 109.325 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.979 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.8 m-85 -66.08 -40.09 90.57 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.627 1.679 . . . . 70.35 111.031 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -74.27 97.43 2.99 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 117.868 -1.063 . . . . 71.54 109.98 179.688 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -31.22 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 75.14 109.289 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.468 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -76.96 -45.47 27.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 75.14 109.3 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.59 77.72 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 50.22 111.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.663 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.88 10.38 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 65.02 109.302 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.878 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.87 18.9 74.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 50.42 111.014 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.3 mt -149.86 114.69 5.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 75.35 109.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.516 HD13 ' CB ' ' A' ' 92' ' ' PHE . 51.5 mt -80.63 104.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 62.22 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 t -71.4 -174.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 75.01 110.009 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 106' ' ' LYS . . . -53.66 -71.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 41.34 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.83 -66.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 73.14 109.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB3' HG23 ' A' ' 100' ' ' ILE . 74.6 mt-10 -38.38 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.11 110.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.769 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -94.38 -73.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 72.41 109.302 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.764 ' HB3' HG21 ' A' ' 121' ' ' VAL . 1.1 ptmm? -45.6 -56.18 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.21 109.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.649 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -46.87 -42.88 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 73.41 109.575 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.979 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -66.07 -49.39 76.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 71.44 109.326 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.488 ' O ' ' CG1' ' A' ' 112' ' ' ILE . 1.2 mt -59.63 -26.87 65.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 64.23 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 1.8 m -85.08 -10.27 57.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.44 110.403 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.502 ' OG ' HD23 ' A' ' 39' ' ' LEU . 25.4 t -85.4 -0.29 54.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 74.05 109.965 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.041 HG21 HD11 ' A' ' 465' ' ' ILE . 6.3 pt -109.67 -32.91 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 72.45 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 145.08 -35.9 1.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 63.04 110.99 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.5 ' OE2' HD13 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -61.15 173.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 64.04 110.358 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 114' ' ' GLU . 1.0 OUTLIER -156.56 129.52 7.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 62.14 109.27 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.539 ' CD2' ' CE ' ' A' ' 124' ' ' MET . 1.6 mp -124.1 143.99 50.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 74.2 109.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.2 p -73.41 154.14 40.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 74.22 110.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -27.77 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 75.3 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.27 -23.89 30.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 43.14 109.324 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -76.07 -57.11 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 73.5 110.319 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.957 ' O ' HD22 ' A' ' 125' ' ' LEU . 0.7 OUTLIER -59.34 -50.96 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 71.13 109.316 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.526 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 15.5 t70 -49.64 -26.1 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 70.02 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -32.44 16.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 64.12 109.312 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.539 ' CE ' ' CD2' ' A' ' 116' ' ' LEU . 56.4 ttm -58.19 -37.9 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 74.12 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.957 HD22 ' O ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -66.16 -57.02 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 44.3 109.284 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 125' ' ' LEU . 45.5 mtt180 -35.21 -33.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 64.35 110.265 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 125' ' ' LEU . 77.9 mt-10 -42.76 -51.18 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 74.04 110.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.506 HG11 ' CB ' ' A' ' 142' ' ' ALA . 33.1 m -132.84 11.83 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 73.42 109.309 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.3 p -96.76 13.86 27.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 71.33 109.995 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.6 t70 40.01 46.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 73.43 109.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.86 44.37 87.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 42.32 110.983 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 129' ' ' SER . 28.9 t -104.7 -82.57 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 74.32 110.024 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 158.97 -24.41 0.33 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 73.34 110.939 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -120.19 174.59 6.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 0.76 . . . . 74.23 110.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.769 HD11 ' CD1' ' A' ' 105' ' ' LEU . 9.0 pt -147.13 126.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 65.42 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.505 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -90.49 173.58 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 75.23 109.257 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.853 HD11 ' HB3' ' A' ' 85' ' ' LEU . 5.8 tp -45.27 -26.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 61.45 109.315 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.426 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 3.6 mm-40 -80.88 -58.42 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 74.44 110.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.702 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 21.2 mt-30 -63.16 -56.46 16.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 72.33 110.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.556 ' HA ' HD12 ' A' ' 135' ' ' ILE . 44.8 t80 -42.3 -50.45 5.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 73.13 110.964 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -61.27 -34.41 75.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 64.33 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.55 -37.36 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 64.31 109.331 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -43.97 90.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 62.52 109.293 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.632 ' N ' HD23 ' A' ' 144' ' ' LEU . 2.6 mt -69.24 -11.13 60.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 72.43 109.326 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.4 m -136.41 43.8 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 65.34 110.026 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 142' ' ' ALA . 30.9 tptt -176.03 110.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 74.34 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.48 ' O ' ' CG2' ' A' ' 150' ' ' THR . . . -154.24 88.56 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 72.31 111.01 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 56.7 m -81.2 146.74 30.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 61.44 110.034 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 m 40.58 67.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 51.35 110.033 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.556 HG22 ' HB2' ' A' ' 455' ' ' ARG . 31.4 p -81.37 -69.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 71.05 110.332 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 453' ' ' THR . . . 66.94 27.95 73.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 72.41 111.017 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 151' ' ' GLY . 1.5 m 83.17 23.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 0.752 . . . . 62.53 110.426 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -117.18 -35.28 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 65.22 110.313 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.556 ' HB2' HG22 ' A' ' 150' ' ' THR . 11.3 mmt85 -93.86 -44.84 7.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 71.41 110.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 459' ' ' ARG . 5.0 ptmt -59.3 -21.75 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 44.13 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . 0.74 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -92.05 -16.71 26.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 75.22 109.316 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.08 -64.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 53.13 109.288 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.554 ' O ' HD13 ' A' ' 463' ' ' LEU . 4.1 ptp85 -58.66 -27.87 65.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 74.44 110.355 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.843 ' HA ' HD22 ' A' ' 463' ' ' LEU . 10.0 t30 -69.93 -39.07 76.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 72.11 109.266 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.834 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.24 -29.37 46.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 63.04 109.291 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.77 HG23 ' CE1' ' A' ' 92' ' ' PHE . 14.8 mt -86.18 -28.82 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 74.34 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.843 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.1 OUTLIER -58.64 -40.68 84.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 64.02 109.314 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 18' ' ' LEU . . . -73.96 -59.5 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 74.11 109.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.041 HD11 HG21 ' A' ' 112' ' ' ILE . 19.0 mt -42.8 -30.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 73.25 109.286 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.881 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.84 -71.96 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.05 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.744 ' HZ3' ' HG3' ' A' ' 72' ' ' MET . 25.1 mtpt -45.4 -61.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 53.13 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.839 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 58.3 t -46.72 -46.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 74.12 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 465' ' ' ILE . 26.9 t -65.98 -27.0 67.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 75.24 110.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 467' ' ' LYS . 0.0 OUTLIER -74.21 -44.95 51.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 73.33 110.302 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.979 ' HE3' HD11 ' A' ' 51' ' ' LEU . 2.3 mtm -45.21 -23.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 74.11 111.001 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.618 ' HB2' ' HE3' ' A' ' 36' ' ' MET . 18.1 t80 -88.71 -33.79 17.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 75.51 111.032 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 470' ' ' ARG . 2.7 m -80.98 -1.93 45.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 65.25 109.995 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 471' ' ' MET . 12.0 p -111.69 -47.16 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 74.04 109.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -40.27 -36.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 64.05 109.27 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 74.15 110.232 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.041 -0.823 . . . . 54.54 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.9 p -68.77 74.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 73.42 110.019 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.32 150.98 30.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 73.45 109.982 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -137.05 26.26 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 71.13 109.252 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.821 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -92.01 147.83 22.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 71.31 109.28 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.6 p -96.27 160.06 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 73.21 110.39 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -40.04 -39.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 62.23 110.351 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.87 -46.48 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 55.42 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 5' ' ' THR . 12.6 mm100 -56.07 -30.59 62.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 74.12 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.815 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 mm -67.9 -27.1 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.54 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.79 -12.55 59.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 71.34 109.257 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.48 ' CD ' ' CD ' ' A' ' 456' ' ' LYS . 6.0 mm-40 -76.05 -71.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 70.2 110.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.821 ' CZ ' HD13 ' A' ' 4' ' ' LEU . 38.8 m-85 -41.17 -28.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 64.3 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 29.5 mttt -50.68 -49.03 58.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 61.24 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 461' ' ' LYS . 72.3 mt-10 -61.34 -43.85 98.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.52 110.252 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -66.39 -15.2 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 64.01 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.54 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 4.5 t80 -85.94 -37.81 18.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 72.41 110.999 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.07 -19.96 63.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 63.13 109.252 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.899 HD21 ' HG3' ' A' ' 461' ' ' LYS . 52.9 mt -49.76 -41.77 44.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 62.22 109.345 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.658 ' HB2' HD13 ' A' ' 27' ' ' ILE . 3.1 m-85 -109.75 -47.2 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 55.24 111.027 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.54 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -58.25 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 45.4 109.286 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.692 ' CE ' HG21 ' A' ' 34' ' ' THR . 31.4 mmtt -66.85 -67.14 0.47 Allowed 'General case' 0 C--O 1.215 -0.734 0 CA-C-O 123.638 1.685 . . . . 72.25 109.27 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.5 p30 -75.7 -8.27 56.4 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 117.887 -1.054 . . . . 72.24 109.981 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.9 m-80 52.0 61.39 3.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 74.31 109.295 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 12.4 p30 -91.72 -22.57 20.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 72.1 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' GLU . . . 110.04 31.06 3.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 61.32 111.004 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.94 111.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 71.33 109.985 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.658 HD13 ' HB2' ' A' ' 19' ' ' PHE . 94.9 mt -91.15 104.27 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 75.12 109.279 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.54 158.85 35.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 53.4 109.975 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -55.14 -24.31 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 75.12 109.996 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.7 -26.15 44.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 74.31 109.943 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.757 ' O ' HG22 ' A' ' 34' ' ' THR . 40.1 mt-10 -90.59 -30.03 17.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 74.04 110.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.014 HD22 HG13 ' A' ' 48' ' ' VAL . 1.7 tt -70.19 -52.46 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 74.21 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.622 ' HB1' ' NH2' ' A' ' 37' ' ' ARG . . . -67.07 -12.4 59.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 51.33 109.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -68.43 -24.3 64.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 75.24 110.384 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 2.1 t -91.34 -61.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 53.14 109.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.565 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 95.2 mtp -41.81 -57.77 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 63.21 110.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.622 ' NH2' ' HB1' ' A' ' 33' ' ' ALA . 5.2 ptp180 -55.27 -40.64 71.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 72.21 110.255 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 7.8 t -57.0 -34.02 67.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 60.35 109.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.983 HD13 HG23 ' A' ' 465' ' ' ILE . 23.4 mt -74.36 -21.21 59.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.12 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.97 3.96 8.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 54.04 111.067 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.37 -176.89 4.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 65.32 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.469 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 55.6 m -161.73 60.77 1.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 72.14 109.997 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.98 144.45 30.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 74.24 111.018 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.0 p -88.02 140.33 29.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 65.11 109.974 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 18.0 tt0 -50.31 -27.88 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 63.23 110.306 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -49.37 76.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 62.44 109.321 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.94 ' HB3' HD21 ' A' ' 475' ' ' LEU . 1.0 OUTLIER -75.76 -51.92 11.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 73.41 110.276 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.014 HG13 HD22 ' A' ' 32' ' ' LEU . 55.5 t -39.91 -34.79 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 60.32 109.347 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 45' ' ' GLU . 90.5 m-20 -67.01 -63.14 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 73.13 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.561 ' HB3' HD13 ' A' ' 475' ' ' LEU . 1.5 t70 -57.52 -16.8 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 54.03 109.332 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.753 ' HB2' HD22 ' A' ' 475' ' ' LEU . 1.3 tm? -80.07 -52.44 7.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 61.13 109.309 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.538 ' HB2' HD11 ' A' ' 63' ' ' ILE . 10.9 ptm -79.16 -11.89 59.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 71.44 111.015 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' ASN . 6.6 m-80 -87.28 -8.2 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 72.44 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' C ' HD13 ' A' ' 55' ' ' ILE . 3.2 mm-40 -81.39 -21.77 38.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 62.53 110.28 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.746 HG13 HD22 ' A' ' 71' ' ' LEU . 1.9 mm -107.35 -40.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 71.34 109.292 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.5 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 5.0 t0 -39.27 116.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 73.21 109.28 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.8 t -94.93 -7.78 9.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 123.631 1.681 . . . . 62.44 109.285 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 42.1 p-10 -117.62 -10.94 10.5 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 117.941 -1.028 . . . . 75.32 110.007 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 62.73 36.26 93.06 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.426 1.079 . . . . 74.53 110.973 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.5 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 31.4 p-10 -92.42 27.3 2.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 72.4 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.634 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 47.1 t60 43.41 42.52 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 65.42 109.585 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.528 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 37.3 mt-30 -160.95 162.35 31.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 63.11 110.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.538 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.3 OUTLIER -111.4 126.19 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 74.31 109.328 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.464 ' C ' ' CZ ' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -94.15 175.23 6.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 73.43 110.294 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.815 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 3.2 t80 -74.53 -12.69 60.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 72.03 110.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -90.9 -43.0 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.1 109.993 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -70.37 -56.03 7.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 74.32 110.301 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 15' ' ' ALA . 86.7 t80 -50.22 -45.98 54.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 70.14 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.772 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -67.34 -34.19 76.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 72.23 109.292 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.63 -16.3 62.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 74.54 109.304 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.766 HD21 ' CE ' ' A' ' 471' ' ' MET . 15.8 tp -77.04 -60.64 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 75.04 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.455 ' HE1' ' HA ' ' A' ' 464' ' ' ALA . 0.0 OUTLIER -39.9 -49.5 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 72.01 110.954 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.553 ' OG ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -72.75 -33.19 66.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 63.35 110.027 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -102.37 58.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 74.34 110.305 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.62 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -144.9 19.09 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 71.22 110.252 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.62 HD23 ' OD1' ' A' ' 80' ' ' ASP . 7.0 mp -121.43 131.13 53.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 62.12 109.286 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.473 ' N ' ' OD2' ' A' ' 80' ' ' ASP . 54.6 mttt -123.34 -72.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.35 109.313 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 p -128.12 -84.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 75.24 109.992 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.466 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -89.29 18.19 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 74.31 109.311 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.62 ' OD1' HD23 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -41.1 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 74.24 109.287 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -42.16 -28.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 74.51 109.987 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 79' ' ' ASN . 0.8 OUTLIER -72.48 -44.27 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 74.44 110.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.607 HE21 HD21 ' A' ' 86' ' ' LEU . 1.9 mm-40 -67.62 -65.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.172 . . . . 74.23 110.273 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -38.71 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 52.23 110.281 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.829 ' HB3' HD11 ' A' ' 137' ' ' ILE . 7.1 mt -67.31 -65.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 73.05 109.293 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.607 HD21 HE21 ' A' ' 83' ' ' GLN . 2.8 pp -57.19 -46.92 82.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 62.22 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.555 ' O ' HG23 ' A' ' 91' ' ' VAL . 43.2 mm-40 -51.69 -44.45 63.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 75.25 110.313 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.783 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -80.59 -24.65 39.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 64.52 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.7 t80 -66.18 -64.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 72.02 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -61.02 -31.26 70.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 71.1 109.289 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 87' ' ' GLU . 2.1 t -60.94 -56.38 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 75.14 109.3 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 1.013 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.7 m-85 -64.56 -43.8 92.77 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 123.623 1.678 . . . . 74.23 111.004 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.86 99.01 1.32 Allowed 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 117.896 -1.049 . . . . 61.01 109.98 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -30.22 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 65.14 109.339 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -78.32 -43.5 27.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 72.11 109.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.96 78.52 1.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 74.14 110.971 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.655 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -139.62 11.46 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 74.43 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.868 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 68.08 18.81 71.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 72.25 110.989 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -149.88 111.34 4.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 0.798 . . . . 64.53 109.279 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.6 HD13 ' CB ' ' A' ' 92' ' ' PHE . 64.6 mt -77.13 104.74 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 71.53 109.306 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -70.22 -175.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 30.05 110.012 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.584 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -54.01 -70.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 51.52 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.16 -67.15 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 75.24 109.256 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ALA . 36.3 mt-10 -37.64 -29.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 64.54 110.284 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.893 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.4 OUTLIER -93.05 -72.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 44.53 109.307 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.599 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -46.04 -56.99 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.02 109.274 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.602 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -47.2 -42.13 19.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 73.24 109.631 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 1.013 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -64.95 -48.4 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 72.05 109.284 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 114' ' ' GLU . 2.8 mm? -59.69 -30.02 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 72.41 109.322 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.5 m -82.12 -23.83 35.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 73.51 110.404 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 38' ' ' SER . 0.4 OUTLIER -71.98 -7.87 51.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 72.44 109.988 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.88 HD13 HD11 ' A' ' 465' ' ' ILE . 15.6 pt -114.61 -33.09 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 54.35 109.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.16 -34.43 0.85 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 30.41 111.039 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' LEU . 10.8 mm-40 -61.46 111.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 65.35 110.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -108.91 105.11 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.02 109.289 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.464 HD23 ' HB3' ' A' ' 120' ' ' GLU . 5.9 mp -115.04 146.51 41.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 75.13 109.292 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.1 p -79.41 157.84 27.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 62.45 110.398 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 0.8 OUTLIER -54.3 -32.64 56.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 61.15 109.326 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.73 -24.96 53.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 72.24 109.332 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.464 ' HB3' HD23 ' A' ' 116' ' ' LEU . 41.2 mm-40 -77.71 -55.69 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 72.21 110.315 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -64.08 -50.44 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 75.14 109.326 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.517 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 12.7 t0 -47.6 -24.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 60.01 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.67 -35.24 15.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 74.25 109.309 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 121' ' ' VAL . 28.3 ttm -63.82 -30.73 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 75.3 110.941 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.987 HD13 ' O ' ' A' ' 133' ' ' GLY . 12.7 mt -68.34 -58.34 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 50.15 109.289 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 125' ' ' LEU . 15.1 mtt-85 -36.32 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 65.14 110.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.5 mm-40 -43.39 -49.29 7.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 62.14 110.321 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.411 HG11 ' CB ' ' A' ' 142' ' ' ALA . 31.2 m -132.49 8.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 65.34 109.271 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.45 ' HB3' ' C ' ' A' ' 125' ' ' LEU . 1.4 p -91.95 1.92 56.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 44.31 109.966 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.3 t70 51.12 27.17 3.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 63.3 109.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . . . 89.27 -23.64 17.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.152 . . . . 64.14 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 133' ' ' GLY . 86.2 p -39.07 -78.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 71.24 110.016 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.987 ' O ' HD13 ' A' ' 125' ' ' LEU . . . 147.84 -17.64 1.41 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 73.13 111.027 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 26.6 mt-10 -119.96 178.9 4.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 0.772 . . . . 74.24 110.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.893 HD11 ' CD1' ' A' ' 105' ' ' LEU . 5.4 pt -148.03 119.86 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 54.42 109.341 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.588 ' HB3' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -87.56 175.87 7.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 64.53 109.323 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.829 HD11 ' HB3' ' A' ' 85' ' ' LEU . 5.3 tp -47.58 -23.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 63.24 109.262 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.422 ' HB2' ' ND2' ' A' ' 136' ' ' ASN . 2.9 mm-40 -84.12 -58.3 2.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 74.43 110.333 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.662 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 22.5 mt-30 -62.19 -55.99 23.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 71.14 110.326 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.415 ' N ' ' HB ' ' A' ' 135' ' ' ILE . 37.6 t80 -43.1 -46.55 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.25 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.91 74.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 14.03 109.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.82 -36.31 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 41.12 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.464 ' O ' ' NH1' ' A' ' 459' ' ' ARG . 1.0 OUTLIER -61.46 -62.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 71.32 109.305 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.603 ' N ' HD23 ' A' ' 144' ' ' LEU . 1.8 mt -51.05 -22.43 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 71.42 109.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.6 t -104.48 32.97 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 74.34 109.986 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.502 ' O ' ' CZ ' ' A' ' 459' ' ' ARG . 5.5 tptp -124.73 84.64 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 72.13 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.464 ' HA2' HG21 ' A' ' 150' ' ' THR . . . -129.0 42.79 1.38 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 75.14 111.03 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 17.2 m -109.58 -46.78 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 72.05 110.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.1 m -102.35 45.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 54.55 109.947 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.502 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 11.9 p -118.88 118.58 31.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 62.5 110.412 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -111.27 64.17 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 72.35 111.004 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 453' ' ' THR . 2.9 m 63.63 33.06 13.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 73.42 110.418 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -144.09 -59.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 71.3 110.283 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.502 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 20.2 mmt180 -68.46 -27.83 66.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.43 110.258 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.48 ' CD ' ' CD ' ' A' ' 11' ' ' GLU . 3.3 ptpt -68.18 -30.75 69.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 71.32 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -92.32 -16.24 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.13 109.303 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 458' ' ' LEU . 2.0 tm? -63.95 -57.2 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 70.32 109.315 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 146' ' ' LYS . 3.5 ptp180 -71.6 -19.83 62.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 71.31 110.275 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.88 ' HA ' HD22 ' A' ' 463' ' ' LEU . 19.5 t30 -63.7 -31.07 72.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.34 109.289 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.899 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -57.03 -26.72 60.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 70.11 109.269 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.708 HG23 ' CE1' ' A' ' 92' ' ' PHE . 7.4 mt -86.5 -35.96 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 65.22 109.278 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.88 HD22 ' HA ' ' A' ' 460' ' ' ASN . 0.6 OUTLIER -46.78 -46.58 20.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 74.12 109.338 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -71.87 -59.87 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 43.05 109.353 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.983 HG23 HD13 ' A' ' 39' ' ' LEU . 93.4 mt -40.36 -31.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 71.33 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.783 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -87.02 -72.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 75.24 109.313 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.455 ' CB ' ' HE3' ' A' ' 72' ' ' MET . 35.4 mttt -40.37 -67.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 74.13 109.29 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.556 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 55.7 t -39.12 -38.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 72.5 109.326 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 466' ' ' ALA . 0.1 OUTLIER -71.73 -68.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 74.13 109.947 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.719 ' NH1' HG21 ' A' ' 474' ' ' VAL . 0.0 OUTLIER -37.06 -51.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 75.1 110.303 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.766 ' CE ' HD21 ' A' ' 71' ' ' LEU . 2.2 mtm -42.11 -49.98 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 75.34 111.029 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.565 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 10.7 t80 -50.26 -37.46 36.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.14 110.996 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 1.1 t -71.22 -25.76 62.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 72.42 109.993 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.719 HG21 ' NH1' ' A' ' 470' ' ' ARG . 45.0 t -79.52 -52.01 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 74.31 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.94 HD21 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -43.14 -37.67 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.01 109.297 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 71.42 110.3 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.006 -0.837 . . . . 63.33 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.8 m -156.12 110.68 2.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 65.42 109.985 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -81.12 3.93 21.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 74.14 109.999 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 68.74 22.77 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 73.23 109.302 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.713 HD13 ' CE2' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -120.56 145.89 46.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 73.35 109.305 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.5 p -96.56 160.55 14.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 61.32 110.403 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -41.44 -35.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 63.21 110.332 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.596 ' CD ' HG22 ' A' ' 453' ' ' THR . 7.6 tt0 -67.88 -46.7 70.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 74.23 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 11.8 mm100 -57.06 -35.94 69.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.2 110.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.814 HG22 ' HZ ' ' A' ' 65' ' ' PHE . 1.7 mm -65.58 -21.88 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 72.51 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -83.1 -12.33 57.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 63.51 109.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -81.34 -64.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 75.52 110.338 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.713 ' CE2' HD13 ' A' ' 4' ' ' LEU . 52.2 m-85 -50.27 -24.35 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 54.33 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.4 mtmt -56.17 -38.86 71.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 72.42 109.272 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' CB ' ' HE2' ' A' ' 461' ' ' LYS . 5.3 mm-40 -70.42 -45.41 65.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 63.44 110.281 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -61.98 -15.33 42.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 54.05 109.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 5.8 t80 -83.04 -36.45 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 72.31 111.026 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -27.1 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 71.32 109.256 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.767 HD21 ' HG3' ' A' ' 461' ' ' LYS . 72.8 mt -41.53 -34.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 73.14 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.68 ' CZ ' HG11 ' A' ' 468' ' ' VAL . 5.6 m-85 -116.07 -54.28 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 72.44 111.027 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.587 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -50.91 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 64.35 109.348 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' PHE . 39.0 mmtt -72.75 -67.03 0.59 Allowed 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 123.636 1.684 . . . . 72.53 109.297 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 2.8 p30 -71.48 -3.51 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.903 -1.046 . . . . 75.03 109.976 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.9 m120 44.38 63.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 71.15 109.271 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 18.5 p-10 -96.07 -24.71 16.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 73.54 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.36 29.4 3.21 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.118 . . . . 74.34 111.004 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.91 111.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 44.32 110.003 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 54.1 mt -84.94 109.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 72.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 p -67.73 168.15 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 64.32 109.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.449 ' OG ' ' CG1' ' A' ' 48' ' ' VAL . 1.6 t -68.7 -33.57 74.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 75.33 109.995 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.07 -20.63 60.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 61.51 110.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.658 ' O ' HG22 ' A' ' 34' ' ' THR . 45.9 mt-10 -90.81 -40.28 11.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 53.21 110.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.712 HD22 HG13 ' A' ' 48' ' ' VAL . 2.5 tt -63.39 -51.72 64.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 64.32 109.246 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -65.87 -12.12 52.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.25 109.28 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -70.14 -29.53 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 74.45 110.429 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.554 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 1.8 t -83.33 -65.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 73.15 109.343 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.518 ' HE1' ' CG ' ' A' ' 472' ' ' PHE . 78.7 mtp -41.03 -48.28 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 64.2 110.975 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 38' ' ' SER . 13.1 ptm180 -62.35 -39.21 92.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.45 110.346 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.424 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 67.0 m -61.18 -15.66 36.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 54.21 110.009 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.054 HD13 HG23 ' A' ' 465' ' ' ILE . 8.7 mt -91.54 -19.01 23.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 73.04 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.37 -3.72 8.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.097 . . . . 53.15 110.955 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.511 HD13 ' HE2' ' A' ' 36' ' ' MET . 20.5 mt -73.19 -178.25 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 72.01 109.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.485 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 11.5 p -159.8 59.92 1.4 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 73.33 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.4 Cg_endo -75.01 115.3 4.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 64.42 111.031 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -67.24 139.97 57.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 61.01 110.015 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.477 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 27.4 tt0 -43.25 -43.74 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 74.45 110.325 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.96 -50.74 18.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 53.11 109.272 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.18 -48.16 37.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 74.52 110.333 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.712 HG13 HD22 ' A' ' 32' ' ' LEU . 98.7 t -43.12 -32.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 74.11 109.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.587 ' N ' HD22 ' A' ' 49' ' ' ASN . 0.9 OUTLIER -65.25 -63.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 62.53 109.27 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.57 -13.82 35.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 74.24 109.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.2 tm? -79.13 -53.44 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 55.42 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 61' ' ' HIS . 1.8 ptp -76.45 -21.55 55.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 72.41 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -78.33 -7.88 57.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 64.23 109.293 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' C ' HD13 ' A' ' 55' ' ' ILE . 15.7 mm-40 -85.64 -13.95 47.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 61.31 110.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.654 HD11 ' SD ' ' A' ' 471' ' ' MET . 1.4 mm -117.98 -40.83 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 63.42 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 4.7 t0 -38.57 115.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 73.13 109.266 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 67' ' ' GLU . 97.3 t -94.8 -7.22 10.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 123.687 1.708 . . . . 75.41 109.351 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 53.7 p-10 -120.12 -10.56 9.39 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 117.922 -1.037 . . . . 74.31 109.987 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 64.3 37.34 94.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 54.34 111.0 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.4 p-10 -96.76 31.88 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 52.11 109.283 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.644 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 48.4 t60 40.27 38.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.22 109.615 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.451 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 35.6 mt-30 -157.65 177.57 11.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 71.45 110.318 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.07 127.78 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 72.1 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -95.29 168.09 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.03 110.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.814 ' HZ ' HG22 ' A' ' 9' ' ' ILE . 1.9 t80 -69.5 -13.15 62.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.12 111.043 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.9 p -87.22 -47.08 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 51.14 110.012 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 18.0 mt-10 -69.51 -49.14 57.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 65.13 110.311 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -53.67 -43.51 68.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 75.02 111.0 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.773 HD12 ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -72.51 -34.6 67.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 73.15 109.305 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.37 -15.83 61.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 60.25 109.303 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.625 HD13 HD12 ' A' ' 55' ' ' ILE . 19.2 tp -73.46 -46.83 45.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 74.53 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' A' ' 467' ' ' LYS . 1.0 OUTLIER -61.76 -40.32 94.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 74.32 110.986 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.1 t -72.07 -9.93 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 75.34 109.993 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.473 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -127.1 39.21 3.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 72.51 110.302 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.492 ' OE1' ' CZ ' ' A' ' 470' ' ' ARG . 1.5 mm-40 -142.34 29.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 63.13 110.247 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.772 HD21 ' CE ' ' A' ' 467' ' ' LYS . 0.3 OUTLIER -141.44 118.27 11.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 51.01 109.314 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -135.37 -89.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 73.25 109.289 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 m -90.83 -84.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 34.32 109.955 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.407 ' ND2' ' HG3' ' A' ' 83' ' ' GLN . 0.4 OUTLIER -83.02 47.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 72.51 109.284 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -53.22 -95.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 63.45 109.289 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.476 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 15.5 t -36.89 -57.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 71.31 110.024 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.14 -51.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 74.52 110.332 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG3' ' ND2' ' A' ' 79' ' ' ASN . 2.7 mm-40 -55.21 -64.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 73.13 110.302 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' CA ' ' HB1' ' A' ' 466' ' ' ALA . 9.7 pt-20 -59.04 -14.37 9.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 74.53 110.27 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.125 HD11 ' HB2' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -79.74 -59.79 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 70.52 109.26 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 87' ' ' GLU . 1.5 pp -63.61 -47.73 80.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 71.15 109.273 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.646 ' N ' HD12 ' A' ' 86' ' ' LEU . 56.8 mm-40 -54.11 -34.74 61.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 75.34 110.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -90.34 -20.94 22.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 64.15 109.328 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' LEU . 21.8 t80 -67.83 -63.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 54.34 111.007 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' CB ' ' NZ ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -63.27 -32.75 74.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 52.22 109.302 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 1.9 t -58.96 -57.44 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 73.03 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 1.007 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.7 m-85 -62.03 -42.9 99.67 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 123.624 1.678 . . . . 72.44 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -70.13 98.6 1.35 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 117.91 -1.043 . . . . 54.33 109.96 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -30.34 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 72.15 109.27 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.463 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -77.83 -45.41 24.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 75.53 109.317 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.35 77.69 1.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.455 1.097 . . . . 74.15 110.971 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.646 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -138.86 10.48 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 61.54 109.301 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.859 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 69.72 18.31 73.92 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 71.44 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.859 HD23 ' O ' ' A' ' 98' ' ' GLY . 2.7 mt -149.7 110.56 4.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 72.43 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.584 HD13 ' CB ' ' A' ' 92' ' ' PHE . 68.9 mt -74.96 103.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 72.11 109.329 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -70.08 174.9 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 71.43 109.984 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -46.01 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 74.22 109.345 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 107' ' ' HIS . . . -40.39 -67.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 64.24 109.315 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 103' ' ' ALA . 37.6 mt-10 -37.63 -28.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 72.14 110.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.77 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.5 OUTLIER -93.94 -72.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 73.04 109.325 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.662 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -47.74 -55.79 8.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 62.32 109.27 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.606 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -47.98 -40.29 22.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.54 109.571 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 1.007 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.5 t -66.82 -50.1 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 65.2 109.276 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.0 -35.23 66.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 63.34 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 114' ' ' GLU . 99.3 m -80.16 -16.87 53.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 54.52 110.394 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.0 -2.09 54.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.41 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.941 HG21 HD11 ' A' ' 465' ' ' ILE . 6.8 pt -115.83 -33.85 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 65.41 109.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.431 ' N ' HG13 ' A' ' 112' ' ' ILE . . . 153.6 -39.02 0.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 61.03 111.008 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 110' ' ' THR . 7.4 mm-40 -49.2 174.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 72.2 110.314 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.77 105.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 74.22 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.603 ' CD2' ' CE ' ' A' ' 124' ' ' MET . 5.9 mp -121.86 138.51 54.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 71.13 109.303 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.3 p -75.42 157.38 34.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 63.34 110.415 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 4.8 t70 -54.63 -23.03 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 74.43 109.313 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.11 -26.24 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 71.34 109.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -79.01 -50.86 10.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 74.13 110.254 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.662 HG21 ' HB3' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -66.69 -50.99 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 74.43 109.32 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.528 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 16.2 t70 -49.7 -25.3 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 65.44 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -37.02 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 71.22 109.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.603 ' CE ' ' CD2' ' A' ' 116' ' ' LEU . 4.3 tpp -56.32 -37.38 69.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 75.54 110.978 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 127' ' ' GLU . 9.6 mt -64.31 -54.47 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 63.51 109.259 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 125' ' ' LEU . 40.7 mtt180 -36.9 -31.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 71.23 110.272 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' LEU . 73.0 mm-40 -44.26 -50.14 9.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 73.43 110.3 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.52 HG11 ' CB ' ' A' ' 142' ' ' ALA . 33.0 m -132.18 11.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.23 109.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 132' ' ' SER . 2.4 p -98.21 5.33 48.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 70.14 109.982 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' SER . 25.8 t70 40.39 36.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 71.15 109.275 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.98 46.67 90.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 63.13 110.984 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 129' ' ' SER . 2.2 m -97.89 -72.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 61.43 109.995 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 149.26 -16.46 1.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 71.22 110.995 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 99' ' ' LEU . 27.5 mt-10 -141.81 170.33 15.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 71.04 110.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.77 HD11 ' CD1' ' A' ' 105' ' ' LEU . 4.8 pt -138.36 130.44 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 62.12 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.559 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.75 -174.36 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.35 109.284 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.542 HD12 HD12 ' A' ' 85' ' ' LEU . 11.2 tp -58.06 -16.46 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 65.33 109.326 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.505 HE21 HG23 ' A' ' 137' ' ' ILE . 5.6 mm-40 -90.34 -49.68 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 61.21 110.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.668 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 29.4 mt-30 -70.53 -56.97 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 74.01 110.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.418 ' CD2' HD13 ' A' ' 85' ' ' LEU . 16.5 t80 -43.52 -49.12 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 72.12 110.989 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 1.125 ' HB2' HD11 ' A' ' 85' ' ' LEU . . . -62.05 -31.83 72.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 71.12 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -55.33 -29.43 58.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 73.14 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.45 -47.23 34.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 74.35 109.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.699 HD21 HD12 ' A' ' 462' ' ' ILE . 8.1 mt -74.22 -4.18 34.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 74.44 109.305 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.0 t -122.97 -0.59 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 63.31 110.001 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 142' ' ' ALA . 0.2 OUTLIER 177.48 113.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 74.05 109.32 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.563 ' HA3' HG21 ' A' ' 150' ' ' THR . . . -117.67 -168.43 14.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 62.12 111.023 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.4 ' OG ' ' CD ' ' A' ' 127' ' ' GLU . 0.7 OUTLIER -86.29 111.28 20.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 75.14 109.939 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.8 t 38.67 55.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 61.42 109.999 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.563 HG21 ' HA3' ' A' ' 147' ' ' GLY . 27.0 p -80.28 105.77 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 74.5 110.362 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -116.26 -79.45 0.77 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 73.23 111.037 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.596 HG22 ' CD ' ' A' ' 7' ' ' GLU . 73.4 p -132.17 5.44 4.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 72.24 110.398 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 -125.76 -63.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 73.24 110.336 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -62.37 -29.61 70.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 71.32 110.279 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -23.14 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 62.25 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . 0.437 ' O ' ' NZ ' ' A' ' 461' ' ' LYS . . . -75.15 -22.09 58.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 72.43 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.18 -52.39 65.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 74.31 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -69.68 -21.89 63.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 73.31 110.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.59 ' HA ' HD12 ' A' ' 463' ' ' LEU . 30.3 t30 -73.2 -23.6 60.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 73.32 109.32 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.767 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -65.57 -25.32 67.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 62.13 109.287 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.736 HG23 ' HE1' ' A' ' 92' ' ' PHE . 6.1 mt -90.4 -37.95 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 52.32 109.332 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 460' ' ' ASN . 94.8 mt -40.41 -48.59 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 54.24 109.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 0.597 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -68.03 -55.62 11.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.127 . . . . 74.33 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.054 HG23 HD13 ' A' ' 39' ' ' LEU . 22.6 mt -50.61 -21.74 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 71.13 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -86.04 -66.89 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 70.51 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.772 ' CE ' HD21 ' A' ' 76' ' ' LEU . 24.6 mttt -57.7 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 62.53 109.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.68 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 61.8 t -39.2 -38.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 70.25 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 10.1 t -71.66 -48.51 47.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 75.11 110.023 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.492 ' CZ ' ' OE1' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -57.13 -36.02 70.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 75.55 110.279 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.654 ' SD ' HD11 ' A' ' 55' ' ' ILE . 8.4 mtm -51.12 -22.42 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.42 111.015 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.518 ' CG ' ' HE1' ' A' ' 36' ' ' MET . 13.4 t80 -89.1 -25.43 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 65.42 110.979 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 5.8 t -91.62 -2.8 56.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 73.42 110.01 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 471' ' ' MET . 10.8 p -107.65 -48.66 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.3 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.586 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.1 OUTLIER -40.2 -33.58 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 65.14 109.271 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.41 110.283 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . 0.468 ' HA2' HD11 ' A' ' 76' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.006 -0.838 . . . . 74.11 111.006 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.745 ' O ' HD21 ' A' ' 4' ' ' LEU . 1.7 p 175.06 170.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 55.11 109.987 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -97.05 -160.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 71.51 109.985 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.8 t30 60.02 46.81 10.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 55.24 109.312 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.745 HD21 ' O ' ' A' ' 1' ' ' SER . 0.5 OUTLIER -100.11 162.6 12.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 54.41 109.289 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLN . 11.2 p -109.39 160.36 16.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 72.23 110.408 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -41.07 -33.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 73.11 110.312 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 30.7 tt0 -69.95 -48.74 57.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.34 110.253 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 4' ' ' LEU . 9.5 mm100 -53.58 -34.16 57.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 72.32 110.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.151 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 1.6 mm -65.59 -29.98 48.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 75.02 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -70.65 -12.37 61.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 64.54 109.337 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -79.16 -62.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 62.33 110.306 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.59 ' CE2' HD13 ' A' ' 4' ' ' LEU . 67.5 m-85 -52.23 -20.14 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 65.23 110.949 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 2.6 mttt -52.8 -21.35 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 74.05 109.273 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.98 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 74.25 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.049 ' HB1' ' HB2' ' A' ' 464' ' ' ALA . . . -57.83 -17.44 16.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 72.55 109.275 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.605 ' CE2' ' OD2' ' A' ' 20' ' ' ASP . 8.4 t80 -78.2 -40.83 36.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 70.23 110.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.62 68.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 70.42 109.261 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.979 HD21 ' HG3' ' A' ' 461' ' ' LYS . 72.9 mt -41.28 -41.65 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 70.14 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.603 ' HZ ' HG11 ' A' ' 468' ' ' VAL . 18.2 m-85 -104.42 -54.7 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 74.31 110.998 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.605 ' OD2' ' CE2' ' A' ' 16' ' ' PHE . 0.4 OUTLIER -51.75 92.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 64.23 109.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' PHE . 44.1 mmtt -72.39 -67.34 0.56 Allowed 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.643 1.687 . . . . 63.03 109.318 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 22' ' ' ASP . 2.9 p30 -72.98 -6.45 45.45 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 117.908 -1.044 . . . . 73.03 109.949 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 20' ' ' ASP . 1.1 m120 49.44 65.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 62.32 109.306 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -98.54 -25.62 14.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 73.5 109.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.4 30.61 2.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 51.2 110.979 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.9 p -168.92 111.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.776 . . . . 75.33 109.989 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 19' ' ' PHE . 45.3 mt -87.86 107.46 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 72.43 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 p -71.15 157.62 37.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 74.3 109.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -60.62 -26.63 67.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 44.42 109.997 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -71.34 -25.33 62.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 61.44 109.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.622 ' O ' HG22 ' A' ' 34' ' ' THR . 45.7 mt-10 -90.73 -46.42 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 72.41 110.315 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.031 HD22 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -55.64 -50.18 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 64.02 109.3 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.678 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -64.56 -12.61 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 71.32 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -74.96 -32.66 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 71.15 110.425 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 t -88.8 -60.91 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 73.43 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.458 ' SD ' HD21 ' A' ' 32' ' ' LEU . 77.1 mtp -40.97 -47.26 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.45 111.013 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 9.2 ptm180 -70.13 -35.21 73.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 62.35 110.282 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' VAL . 5.0 m -62.49 -22.25 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 74.12 109.976 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.014 HD13 HG23 ' A' ' 465' ' ' ILE . 10.4 mt -80.34 -18.3 49.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.05 109.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.93 2.34 8.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 71.43 111.027 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.0 mt -87.3 -173.96 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 52.53 109.301 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.453 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 48.1 t -164.98 61.94 0.85 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 51.44 109.969 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 472' ' ' PHE . 18.3 Cg_endo -74.97 124.37 8.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 63.21 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' GLU . 68.4 m -69.53 140.62 53.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 73.15 110.013 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -42.84 -28.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 75.04 110.309 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.79 -47.78 76.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 75.33 109.285 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' SER . 1.2 mt-10 -76.15 -49.75 16.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 75.11 110.358 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.031 HG13 HD22 ' A' ' 32' ' ' LEU . 53.4 t -40.93 -42.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 71.13 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ASN . 90.9 m-20 -62.64 -63.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 73.13 109.26 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -18.07 4.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 52.44 109.34 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -78.75 -52.85 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 75.55 109.249 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.606 ' HB2' HD11 ' A' ' 63' ' ' ILE . 10.3 ptm -80.97 -8.79 59.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 70.04 110.976 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.5 m-80 -86.09 -10.13 55.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 71.01 109.272 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.53 ' C ' HD13 ' A' ' 55' ' ' ILE . 15.2 mm-40 -85.61 -10.17 56.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 65.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.899 HG13 HD22 ' A' ' 71' ' ' LEU . 2.7 mm -117.91 -42.77 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 75.14 109.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.493 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 5.9 t0 -39.44 116.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.52 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.58 -7.84 9.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 CA-C-O 123.595 1.664 . . . . 62.51 109.292 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 32.3 p-10 -115.41 -10.25 12.01 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.899 -1.048 . . . . 71.05 109.969 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 58.84 39.28 93.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 64.01 111.033 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.493 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 30.3 p-10 -96.28 25.26 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 74.55 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.67 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 41.3 t60 47.36 40.85 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 51.33 109.649 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.522 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 59.4 mt-30 -160.29 176.29 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 35.44 110.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 52' ' ' MET . 0.2 OUTLIER -123.42 127.09 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 70.44 109.297 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.89 173.72 6.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 75.11 110.291 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 1.151 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 4.0 t80 -74.16 -10.74 59.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 74.34 110.983 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 2.2 p -92.52 -32.85 14.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 64.22 110.025 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.51 -53.56 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 72.13 110.313 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CD2' ' HD1' ' A' ' 16' ' ' PHE . 87.7 t80 -54.03 -49.8 68.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 75.04 111.005 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.085 HD13 ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.35 -23.62 67.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 70.34 109.296 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.085 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -86.08 -15.59 40.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 60.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.914 HD21 ' SD ' ' A' ' 471' ' ' MET . 9.2 tp -73.61 -48.55 31.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 54.43 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -56.27 -36.33 68.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 62.04 110.997 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 1' ' ' SER . 83.0 p -90.58 22.22 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 64.25 110.013 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.16 54.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 73.02 110.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.494 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -144.98 15.93 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.24 110.266 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.752 HD22 ' CA ' ' A' ' 80' ' ' ASP . 0.1 OUTLIER -138.19 150.27 46.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 72.33 109.311 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -141.85 -60.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 54.03 109.306 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 p -108.18 -55.07 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 71.32 110.035 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.588 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -109.97 93.18 4.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 71.12 109.277 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.752 ' CA ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.94 -72.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 74.43 109.244 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 28.4 t -72.02 -4.47 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 63.4 110.015 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.532 ' O ' HD23 ' A' ' 86' ' ' LEU . 4.8 mt-10 -94.52 -22.99 17.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 75.53 110.263 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.489 ' NE2' HD21 ' A' ' 86' ' ' LEU . 11.5 mm-40 -95.11 -64.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.586 1.178 . . . . 73.31 110.285 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -43.37 -27.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 75.14 110.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.076 HD21 ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -74.23 -68.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 70.13 109.327 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 82' ' ' GLU . 1.8 pp -47.25 -38.3 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 72.32 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 5.6 mm-40 -66.75 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 72.14 110.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.914 ' HB2' ' HB2' ' A' ' 466' ' ' ALA . . . -63.4 -11.86 26.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 72.21 109.302 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' LEU . 36.3 t80 -85.4 -55.98 3.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 75.03 111.003 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' HD2' HD12 ' A' ' 86' ' ' LEU . 2.0 ptmm? -66.89 -35.8 80.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 73.33 109.336 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 1.3 p -59.52 -48.46 87.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 61.3 109.293 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.949 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 4.0 m-85 -68.78 -42.28 77.61 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 123.64 1.686 . . . . 75.22 111.004 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -73.08 100.03 2.92 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.876 -1.059 . . . . 63.12 110.012 179.693 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -31.16 19.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 65.31 109.29 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -76.5 -50.85 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 60.35 109.267 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.452 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 90.77 68.09 1.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 23.11 111.01 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.493 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -124.79 -0.3 8.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 71.15 109.292 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.899 ' O ' HD23 ' A' ' 99' ' ' LEU . . . 84.89 13.69 71.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 34.11 110.99 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.899 HD23 ' O ' ' A' ' 98' ' ' GLY . 0.9 OUTLIER -149.6 113.9 5.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 74.34 109.304 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.599 HD13 ' CB ' ' A' ' 92' ' ' PHE . 68.9 mt -73.2 99.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 75.31 109.24 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.4 p -63.9 168.8 4.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 54.53 110.016 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 106' ' ' LYS . . . -43.62 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 64.13 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -42.28 -65.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 64.4 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -38.95 -28.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 73.32 110.279 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.958 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -91.55 -72.93 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 73.42 109.316 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.66 ' HG2' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -45.58 -60.41 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 73.34 109.319 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.631 ' CD2' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -42.75 -41.43 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 71.04 109.596 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.949 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 1.4 t -67.99 -57.35 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 72.12 109.305 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.514 HD23 HG12 ' A' ' 108' ' ' VAL . 3.5 mt -53.7 -23.35 11.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 70.52 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.2 m -83.89 -25.96 29.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 51.22 110.392 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.684 ' OG ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.53 -9.03 46.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 75.33 110.017 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.941 HG21 HD11 ' A' ' 465' ' ' ILE . 12.9 pt -112.18 -32.03 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 73.43 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.71 -33.72 0.97 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.137 . . . . 52.31 111.035 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 109' ' ' LEU . 4.0 mm-40 -65.29 106.02 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 71.12 110.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.92 98.9 8.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 61.13 109.249 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.562 HD13 ' HB3' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -96.97 127.13 42.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 71.24 109.265 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.4 p -65.44 158.03 27.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 71.13 110.409 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -55.31 -22.27 18.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 65.53 109.285 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.78 -22.89 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 60.11 109.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.562 ' HB3' HD13 ' A' ' 116' ' ' LEU . 8.3 mm-40 -82.25 -62.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 72.22 110.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.66 HG21 ' HG2' ' A' ' 106' ' ' LYS . 4.1 p -52.12 -50.95 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 54.41 109.296 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.506 ' HA ' HD12 ' A' ' 125' ' ' LEU . 2.3 t70 -47.08 -25.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 71.43 109.303 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 121' ' ' VAL . 28.2 t70 -91.54 -35.5 14.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 71.53 109.334 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.473 ' HE3' ' HB2' ' A' ' 124' ' ' MET . 23.5 ttm -61.39 -33.66 74.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 63.34 111.016 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 122' ' ' ASP . 5.1 mt -67.24 -55.9 12.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 45.44 109.261 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 125' ' ' LEU . 36.0 mtt-85 -37.87 -29.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 73.12 110.31 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 125' ' ' LEU . 88.3 mt-10 -48.91 -50.64 34.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 74.3 110.292 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.42 HG11 ' CB ' ' A' ' 142' ' ' ALA . 34.5 m -131.35 16.92 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 73.11 109.335 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.5 p -104.26 7.81 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 55.13 110.015 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' SER . 21.8 t70 39.21 46.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 70.24 109.328 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.06 47.52 72.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 53.2 111.001 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 129' ' ' SER . 28.9 t -106.73 -77.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 65.12 109.993 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 150.06 -17.27 1.05 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 60.24 111.042 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.421 ' HB3' ' CB ' ' A' ' 99' ' ' LEU . 21.1 mt-10 -136.02 159.43 41.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 65.14 110.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.958 HD11 ' CD1' ' A' ' 105' ' ' LEU . 6.2 pt -131.32 129.57 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 73.23 109.294 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.634 ' OD1' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.4 -174.01 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 71.31 109.32 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.446 HD13 ' CD2' ' A' ' 89' ' ' PHE . 11.1 tp -59.23 -15.5 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 72.11 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -90.3 -51.12 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 63.04 110.284 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.632 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 28.6 mt-30 -70.03 -56.34 7.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 64.43 110.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' A' ' 136' ' ' ASN . 12.8 t80 -43.55 -48.02 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 73.35 110.993 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 1.076 ' CB ' HD21 ' A' ' 85' ' ' LEU . . . -55.47 -35.69 65.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 71.43 109.264 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 139' ' ' GLN . . . -46.42 -35.87 5.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 62.5 109.297 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.6 -42.12 71.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 73.01 109.317 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 141' ' ' ALA . 8.0 mt -79.04 1.51 23.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 75.3 109.291 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.4 t -155.27 46.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 64.34 109.949 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 142' ' ' ALA . 2.9 tmtt? -87.73 -66.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 64.24 109.279 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 54.52 35.84 57.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 54.4 111.033 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 146' ' ' LYS . 1.4 p -123.69 118.39 27.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 74.45 110.01 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.5 m 65.19 21.89 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 54.02 109.946 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.46 ' CB ' ' HB2' ' A' ' 455' ' ' ARG . 19.4 p -102.47 -163.32 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 75.22 110.415 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 158.12 -74.52 0.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 51.45 110.983 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 5.5 p -139.87 12.91 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 75.43 110.425 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -122.2 -53.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 74.44 110.268 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' ARG . . . . . 0.46 ' HB2' ' CB ' ' A' ' 150' ' ' THR . 18.2 mmt180 -80.33 -31.79 37.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 73.33 110.275 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.522 ' HE3' ' HB2' ' A' ' 457' ' ' ALA . 0.0 OUTLIER -58.98 -24.98 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 65.55 109.352 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . 0.522 ' HB2' ' HE3' ' A' ' 456' ' ' LYS . . . -83.54 -18.24 39.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 42.23 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 458' ' ' LEU . 0.5 OUTLIER -64.09 -48.71 75.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 72.1 109.297 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' ARG . . . . . 0.442 ' NH2' ' HA ' ' A' ' 456' ' ' LYS . 1.3 ptp85 -76.29 -35.95 58.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 73.43 110.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' ASN . . . . . 0.983 ' OD1' HD12 ' A' ' 463' ' ' LEU . 2.4 t30 -58.84 -31.23 68.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 62.42 109.331 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.979 ' HG3' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -63.31 -29.17 70.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.34 109.25 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.717 HG23 ' HE1' ' A' ' 92' ' ' PHE . 13.6 mt -89.45 -33.12 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 74.13 109.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.983 HD12 ' OD1' ' A' ' 460' ' ' ASN . 61.0 mt -47.2 -50.23 21.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.32 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' ALA . . . . . 1.049 ' HB2' ' HB1' ' A' ' 15' ' ' ALA . . . -65.72 -59.03 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 64.43 109.305 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 1.014 HG23 HD13 ' A' ' 39' ' ' LEU . 49.6 mt -42.01 -28.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 65.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . 0.914 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -81.86 -72.43 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 74.35 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 469' ' ' SER . 1.2 mtmm -44.55 -64.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 61.01 109.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' VAL . . . . . 0.923 HG22 ' O ' ' A' ' 464' ' ' ALA . 12.4 m -38.52 -31.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.43 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . 0.442 ' N ' ' C ' ' A' ' 467' ' ' LYS . 5.5 t -82.76 -67.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 71.14 110.024 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.58 ' HD3' HG23 ' A' ' 474' ' ' VAL . 1.3 tmt_? -38.63 -30.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.12 110.272 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' MET . . . . . 0.914 ' SD ' HD21 ' A' ' 71' ' ' LEU . 5.5 mtp -56.97 -48.7 77.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 72.32 111.004 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 4.6 t80 -49.47 -30.3 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.33 111.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 4.2 m -79.1 -27.99 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 53.43 110.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . 0.58 HG23 ' HD3' ' A' ' 470' ' ' ARG . 60.7 t -78.23 -56.43 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 61.41 109.294 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.784 ' O ' HD12 ' A' ' 475' ' ' LEU . 0.0 OUTLIER -39.56 -38.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 73.12 109.3 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 61.13 110.306 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_