data_2beg_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 2beg _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 ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -105.31 155.48 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.74 112.4 14.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CD2' ' CZ ' ' B' ' 20' ' ' PHE . 1.6 m-85 -108.45 77.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.35 128.67 52.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.96 152.29 24.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -132.03 102.47 5.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.06 124.22 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.84 106.29 1.01 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 27' ' ' ASN . 4.4 p -98.47 99.38 10.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t30 63.24 163.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 60.35 113.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.11 -50.31 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.432 ' HB1' ' N ' ' B' ' 30' ' ' ALA . . . 42.61 -146.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.53 106.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' CG1' HG23 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -129.72 142.56 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' B' ' 34' ' ' LEU . . . -127.27 107.75 0.91 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.17 92.25 4.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtt -105.51 118.34 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -125.6 140.89 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.65 114.9 1.89 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.43 114.66 4.33 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 t -126.33 91.81 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.4 t -100.79 102.86 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -116.53 113.75 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.413 ' HA ' ' HA ' ' C' ' 17' ' ' LEU . 1.2 mp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.47 HG21 ' CG1' ' C' ' 18' ' ' VAL . 3.6 m -140.09 151.61 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.33 102.05 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.482 ' CZ ' ' CD2' ' A' ' 20' ' ' PHE . 1.9 m-85 -103.55 125.03 49.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.33 82.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.425 ' CG ' ' HG3' ' C' ' 22' ' ' GLU . 14.1 pt-20 -106.01 142.13 36.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.424 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 19.5 t0 -128.43 100.79 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -80.91 82.11 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.91 107.1 3.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' C' ' 27' ' ' ASN . 28.8 t -100.22 111.07 23.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.8 m120 62.91 69.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -73.15 -95.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.55 176.2 48.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.432 ' N ' ' HB1' ' A' ' 30' ' ' ALA . . . 64.86 -144.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.85 116.89 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.529 ' C ' ' CD1' ' B' ' 32' ' ' ILE . 0.0 OUTLIER -137.52 110.3 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.68 145.06 17.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -137.28 126.31 24.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -140.4 106.38 5.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.75 125.21 73.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.19 111.95 3.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.45 93.06 0.8 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.99 138.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 52.8 t -143.23 88.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.8 mt -97.39 120.55 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.499 ' N ' ' CD2' ' C' ' 17' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.47 ' CG1' HG21 ' B' ' 18' ' ' VAL . 2.9 t -84.61 140.21 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.467 ' CE2' ' CD2' ' D' ' 19' ' ' PHE . 39.5 t80 -147.47 89.79 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.46 137.96 31.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.2 100.79 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' CG ' ' B' ' 22' ' ' GLU . 2.9 tt0 -117.12 132.68 56.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.451 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 37.6 t0 -123.38 106.08 10.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 38.2 t -95.31 102.52 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.01 112.79 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.09 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 0.5 OUTLIER -95.69 93.66 7.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' C' ' 26' ' ' SER . 8.0 t-20 80.03 67.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.424 ' NZ ' ' OD1' ' B' ' 23' ' ' ASP . 16.5 mtmt -64.81 -101.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.92 -171.84 53.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.575 1.172 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.435 ' CB ' ' N ' ' D' ' 30' ' ' ALA . . . 58.05 -142.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mt -106.24 114.06 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.451 ' CG1' HG12 ' B' ' 32' ' ' ILE . 0.1 OUTLIER -128.4 123.22 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.32 124.53 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.49 113.58 23.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.05 100.37 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.03 107.04 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -100.97 102.14 2.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.35 93.66 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.464 ' CG2' HG11 ' D' ' 39' ' ' VAL . 1.0 OUTLIER -127.46 127.37 68.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.1 t -118.48 104.93 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 mt -105.69 109.88 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.564 ' N ' ' CD1' ' D' ' 17' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -121.74 94.33 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.467 ' CD2' ' CE2' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -83.32 135.08 34.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.414 ' CB ' ' HA ' ' E' ' 20' ' ' PHE . 0.7 OUTLIER -139.95 102.81 4.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.17 95.04 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . 0.401 ' CG ' ' OE1' ' C' ' 22' ' ' GLU . 4.0 tt0 -108.11 119.54 39.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.451 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 31.9 t70 -116.48 116.73 28.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 37.8 t -110.46 90.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.95 116.31 4.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -92.21 95.69 9.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.963 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' D' ' 26' ' ' SER . 0.4 OUTLIER 78.39 76.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 27.8 mttt -67.25 -92.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.96 -161.26 50.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' E' ' 30' ' ' ALA . . . 44.62 -144.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.12 111.31 34.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 tt -128.54 113.45 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.17 108.67 3.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.66 112.78 24.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.19 123.77 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.97 107.2 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.68 112.36 4.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' C' ' 37' ' ' GLY . . . -136.08 74.23 0.42 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 0.464 HG11 ' CG2' ' C' ' 39' ' ' VAL . 17.4 t -112.15 143.61 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -138.69 134.5 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.404 HD11 ' CD1' ' E' ' 41' ' ' ILE . 96.5 mt -135.4 108.95 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -97.55 127.78 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.69 84.11 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.414 ' HA ' ' CB ' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -93.87 126.74 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.03 116.7 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -124.47 85.4 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -84.44 122.46 29.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -120.19 109.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.44 135.91 8.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.69 110.35 22.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.23 78.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.451 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 51.1 mttt -72.19 -81.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.31 -154.26 38.0 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.493 1.12 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' D' ' 30' ' ' ALA . . . 47.17 -148.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.767 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 mm -107.73 111.83 37.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.37 149.4 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.74 123.51 1.8 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.52 133.24 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.34 121.81 19.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.34 100.98 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.59 88.98 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.29 68.73 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 92.9 t -113.37 129.37 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 48.6 t -122.92 114.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . 0.404 ' CD1' HD11 ' D' ' 41' ' ' ILE . 13.0 mm -113.5 97.12 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.432 ' CD2' ' CB ' ' B' ' 17' ' ' LEU . 21.1 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -149.41 121.01 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.34 109.24 10.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -107.7 121.42 44.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.14 77.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.17 133.09 34.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -130.23 82.56 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.72 115.65 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.15 94.16 0.35 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 1.1 t -80.59 89.73 5.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.3 t30 81.13 102.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 174.9 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.58 50.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.06 -171.94 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.9 mt -74.38 143.48 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -141.19 111.32 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.13 112.08 3.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.11 115.04 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.61 93.15 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.467 HG11 ' CG2' ' B' ' 36' ' ' VAL . 16.6 t -98.03 86.61 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.62 137.22 15.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.91 139.68 6.3 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.522 ' CG2' ' CG1' ' B' ' 39' ' ' VAL . 4.4 m -137.97 124.13 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.6 ' CG2' ' CG1' ' B' ' 40' ' ' VAL . 59.7 t -122.17 125.77 73.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.458 ' CG2' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -146.48 107.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.467 ' HG ' ' CB ' ' C' ' 17' ' ' LEU . 1.4 tt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 t -113.04 128.92 69.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -137.84 99.1 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.551 ' CD2' ' CE1' ' C' ' 20' ' ' PHE . 0.6 OUTLIER -98.71 124.96 43.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.22 108.49 5.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.86 148.46 52.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 36.8 t0 -137.54 111.23 8.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.5 t -95.93 98.78 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.63 111.3 3.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -94.6 104.87 16.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 0.771 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.3 t-20 82.28 51.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -50.34 171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.405 ' O ' ' HA2' ' C' ' 29' ' ' GLY . . . 161.38 41.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.18 172.79 12.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.419 HD12 ' CG1' ' C' ' 31' ' ' ILE . 7.4 mt -78.04 88.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' C' ' 32' ' ' ILE . 2.7 tt -82.74 119.95 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.53 85.84 0.4 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.5 119.36 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 0.725 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.14 120.65 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.467 ' CG2' HG11 ' A' ' 36' ' ' VAL . 3.0 m -127.4 151.34 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.76 100.75 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.39 81.35 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.522 ' CG1' ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -98.99 137.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.6 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 2.4 p -155.5 110.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 tt -127.52 136.12 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.467 ' CB ' ' HG ' ' B' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.6 t -143.68 112.39 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.404 ' CE1' ' HB ' ' D' ' 36' ' ' VAL . 0.3 OUTLIER -124.84 139.41 53.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.551 ' CE1' ' CD2' ' B' ' 20' ' ' PHE . 0.3 OUTLIER -141.38 111.58 6.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.23 101.18 7.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -115.47 118.73 34.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.451 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 63.3 t0 -112.3 109.25 18.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 72.7 t -92.23 87.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.88 144.72 17.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -133.92 94.94 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' C' ' 26' ' ' SER . 21.1 t-20 84.2 90.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.446 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 88.1 mttt -97.35 132.78 42.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' C' ' 30' ' ' ALA . . . -148.74 82.48 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' C' ' 29' ' ' GLY . . . 165.22 -109.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.419 ' CG1' HD12 ' B' ' 31' ' ' ILE . 12.4 mt -138.77 148.26 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.525 ' CD1' ' C ' ' C' ' 32' ' ' ILE . 0.0 OUTLIER -152.9 99.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.96 125.81 8.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 99.26 7.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.03 122.07 39.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.404 ' HA ' ' CG2' ' D' ' 36' ' ' VAL . 11.6 m -129.8 116.05 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -93.89 122.79 7.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.4 81.12 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.584 ' CG2' ' CG1' ' D' ' 39' ' ' VAL . 1.3 m -113.46 129.77 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.32 115.25 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.443 ' CG2' HG13 ' D' ' 41' ' ' ILE . 6.0 tt -119.09 128.35 75.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.255 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -106.91 115.88 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' E' ' 36' ' ' VAL . 0.5 OUTLIER -124.36 116.92 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 111.049 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.0 119.72 35.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.66 117.78 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.17 139.47 53.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.452 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 53.9 t0 -139.19 129.34 25.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 65.5 t -117.81 106.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.75 98.91 0.94 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 2.8 t -86.39 111.56 20.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.066 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' D' ' 26' ' ' SER . 28.2 t30 76.64 43.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 22.9 mtpt -55.28 156.65 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.35 57.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' E' ' 30' ' ' ALA . . . -158.49 -157.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 62.8 mt -99.66 107.53 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.8 127.02 69.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' E' ' 34' ' ' LEU . . . -119.99 100.69 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.93 95.47 10.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.22 121.5 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.427 ' HA ' ' CG2' ' E' ' 36' ' ' VAL . 21.0 m -126.43 103.06 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . -81.52 110.53 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' C' ' 37' ' ' GLY . . . -120.09 94.76 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 0.584 ' CG1' ' CG2' ' C' ' 39' ' ' VAL . 15.5 t -125.35 142.06 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 0.736 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.418 ' HA ' ' CG1' ' E' ' 40' ' ' VAL . 2.6 p -145.46 120.89 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.466 HG21 ' CD1' ' E' ' 41' ' ' ILE . 19.9 tt -122.84 135.73 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 18.8 t -116.84 113.12 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.6 149.97 41.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -154.23 90.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.31 139.92 30.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.45 94.07 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -99.62 133.32 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 76.3 t -131.17 103.19 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.2 153.22 16.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.3 OUTLIER -120.7 142.58 49.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' E' ' 26' ' ' SER . 1.0 OUTLIER 80.8 -52.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.452 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 66.5 mttt 39.81 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.72 35.51 2.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.095 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' D' ' 30' ' ' ALA . . . -130.87 -138.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 70.5 mt -123.71 128.41 74.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tt -140.91 139.61 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.91 100.36 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' D' ' 33' ' ' GLY . 0.3 OUTLIER -74.5 79.93 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -95.47 100.51 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.548 ' HB ' ' CE1' ' D' ' 19' ' ' PHE . 28.5 m -107.28 127.03 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.84 120.45 5.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' D' ' 37' ' ' GLY . . . -133.87 68.43 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 45.7 t -116.28 125.91 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' D' ' 40' ' ' VAL . 9.7 p -121.55 129.0 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' D' ' 41' ' ' ILE . 1.5 tt -124.45 112.03 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' B' ' 18' ' ' VAL . 5.8 p -93.32 126.38 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.51 142.55 47.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CD2' ' CE2' ' B' ' 20' ' ' PHE . 0.4 OUTLIER -125.49 93.09 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.98 109.53 21.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -139.45 141.15 37.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 17.1 t0 -137.09 110.19 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.76 98.34 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.44 77.79 0.65 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' N ' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -75.71 104.43 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.0 t30 71.32 76.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -84.4 -169.73 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.234 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 148.37 172.24 18.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' B' ' 30' ' ' ALA . . . 71.04 -152.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.337 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mt -84.35 130.85 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 tt -147.36 125.13 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.95 103.72 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.27 147.52 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.95 142.89 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.01 115.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.73 114.91 4.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.71 118.01 3.95 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.73 134.96 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 p -138.5 136.14 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -142.31 108.47 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.503 ' CD2' ' HB2' ' C' ' 17' ' ' LEU . 6.4 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.462 ' CG2' HG12 ' A' ' 18' ' ' VAL . 10.1 p -140.49 123.76 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.529 ' CZ ' ' HA3' ' D' ' 38' ' ' GLY . 0.3 OUTLIER -123.18 106.77 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.422 ' CE2' ' CD2' ' A' ' 20' ' ' PHE . 2.2 m-85 -93.71 140.78 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.38 96.5 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.436 ' HB2' ' CG ' ' C' ' 22' ' ' GLU . 11.2 mt-10 -120.07 139.62 52.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.444 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 4.9 t0 -137.96 121.07 16.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -92.6 105.79 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.83 86.01 0.47 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.1 OUTLIER -85.0 99.86 11.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' B' ' 26' ' ' SER . 0.9 OUTLIER 80.2 92.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 0.2 OUTLIER -105.69 158.45 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.4 -174.5 44.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . 63.11 -122.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mt -106.67 130.51 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mp -127.93 135.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' C' ' 32' ' ' ILE . . . -148.65 122.81 1.55 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.41 128.65 31.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtp -129.89 135.02 47.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -123.18 146.85 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.86 115.78 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.15 88.81 0.32 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -110.81 126.13 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.454 HG23 ' CG1' ' C' ' 40' ' ' VAL . 7.1 p -134.7 124.64 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.512 ' CG2' ' CG1' ' C' ' 41' ' ' ILE . 0.5 OUTLIER -131.47 113.15 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.503 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.54 ' CG1' ' CG2' ' D' ' 18' ' ' VAL . 4.3 p -128.32 94.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.743 ' CE2' ' CD2' ' D' ' 19' ' ' PHE . 0.4 OUTLIER -93.99 138.08 32.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.06 113.22 14.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.53 91.81 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 0.436 ' CG ' ' HB2' ' B' ' 22' ' ' GLU . 2.5 mt-10 -115.78 123.69 48.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.454 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 18.4 t0 -132.14 106.42 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.47 ' CG2' HG11 ' D' ' 24' ' ' VAL . 18.0 m -90.47 118.17 35.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.69 118.41 4.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 21.9 t -102.36 106.14 16.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' C' ' 26' ' ' SER . 19.5 t30 82.83 70.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.444 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 24.9 mttt -83.88 161.32 20.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 169.46 -172.01 43.38 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.425 ' HB3' ' N ' ' D' ' 30' ' ' ALA . . . 67.82 -94.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.409 ' O ' ' O ' ' D' ' 30' ' ' ALA . 3.4 mp -138.72 119.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' B' ' 33' ' ' GLY . 4.1 mp -115.95 104.63 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.39 115.85 3.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.82 128.86 44.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mtt -130.21 126.28 37.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.12 123.81 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.95 132.51 9.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.81 87.21 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -106.49 122.55 60.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 0.777 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.454 ' CG1' HG23 ' B' ' 40' ' ' VAL . 7.4 p -129.93 124.95 59.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.512 ' CG1' ' CG2' ' B' ' 41' ' ' ILE . 0.0 OUTLIER -122.18 124.03 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 109.321 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.455 HD23 ' CG2' ' E' ' 40' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.54 ' CG2' ' CG1' ' C' ' 18' ' ' VAL . 54.9 t -115.32 115.71 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.743 ' CD2' ' CE2' ' C' ' 19' ' ' PHE . 0.3 OUTLIER -109.17 87.68 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 111.04 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.601 ' CD2' ' CE1' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -91.65 106.13 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.72 102.24 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.81 138.49 52.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.424 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 37.1 t0 -146.36 142.9 28.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.47 HG11 ' CG2' ' C' ' 24' ' ' VAL . 10.1 m -127.5 144.55 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.31 105.69 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.5 OUTLIER -86.2 106.89 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.997 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' D' ' 26' ' ' SER . 4.5 t-20 82.68 63.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 43.1 mttt -72.34 178.6 3.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.5 94.18 0.44 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' E' ' 30' ' ' ALA . . . 171.25 -158.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.42 83.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 24.3 mt -83.43 122.45 37.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.37 88.18 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -102.89 126.16 49.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 8.2 ttt -134.38 124.87 26.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.28 119.24 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.71 89.92 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' CZ ' ' B' ' 19' ' ' PHE . . . -92.49 79.32 1.17 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -104.6 134.76 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.47 ' CG2' HG11 ' E' ' 40' ' ' VAL . 0.4 OUTLIER -148.71 109.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' E' ' 40' ' ' VAL . 14.5 mt -113.43 119.37 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 78.1 t -117.54 137.56 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.448 ' CE1' ' CE1' ' D' ' 19' ' ' PHE . 40.4 t80 -135.87 105.91 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' CD2' ' D' ' 20' ' ' PHE . 1.1 t80 -107.24 139.34 41.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' D' ' 20' ' ' PHE . . . -145.52 107.0 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -120.43 113.28 20.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.57 134.51 55.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.447 ' HA ' ' CG2' ' D' ' 24' ' ' VAL . 8.6 m -123.16 127.08 74.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.47 119.14 2.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.1 OUTLIER -98.42 115.11 27.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' E' ' 26' ' ' SER . 9.4 t-20 81.64 53.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.424 ' NZ ' ' OD1' ' D' ' 23' ' ' ASP . 41.5 mttt -65.01 143.42 57.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.47 -169.96 39.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' D' ' 30' ' ' ALA . . . 59.5 -95.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mm -121.88 140.91 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 75.3 mt -140.19 67.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.61 133.82 11.46 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 pp -148.62 111.31 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.6 mtt -111.07 113.79 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.09 120.56 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.26 124.84 8.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.85 70.84 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 83.2 t -92.1 135.63 26.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' E' ' 40' ' ' VAL . 2.5 t -139.62 80.62 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 66.0 mt -99.33 92.1 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' B' ' 19' ' ' PHE . 79.0 t -106.77 102.19 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.25 124.55 48.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -133.68 134.59 43.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.04 121.14 12.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -133.26 131.85 40.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.443 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 16.5 t0 -116.46 98.04 6.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 t -82.84 104.63 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.481 ' HA3' ' CE ' ' B' ' 28' ' ' LYS . . . -114.69 100.53 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 23.4 m -74.34 73.19 1.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 72.11 -171.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HB3' ' N ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER 58.38 165.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.37 83.47 0.53 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.63 -66.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mt -121.69 110.66 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tt -114.07 113.34 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.52 85.8 0.57 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 131.07 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.6 mtp -145.31 135.06 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.86 112.97 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.89 133.97 11.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.48 144.07 14.34 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.459 ' CG1' ' HB ' ' B' ' 39' ' ' VAL . 2.8 p -154.88 131.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.8 t -130.99 134.84 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.5 tt -141.73 96.14 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.482 ' HG ' ' CB ' ' C' ' 17' ' ' LEU . 7.2 mp . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' C' ' 17' ' ' LEU . 54.6 t -81.53 125.92 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -127.37 93.37 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.19 108.94 20.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.36 103.04 10.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -116.04 133.4 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -122.1 92.07 3.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' B' ' 24' ' ' VAL . 2.9 t -79.5 77.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.68 110.12 3.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' C' ' 27' ' ' ASN . 6.4 t -85.27 106.14 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 109.951 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 26' ' ' SER . 2.3 m-80 66.93 94.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.481 ' CE ' ' HA3' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -50.23 -178.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.436 ' N ' ' HB2' ' C' ' 28' ' ' LYS . . . -120.1 -145.26 7.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.51 -84.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -106.02 145.8 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tt -148.27 120.47 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.09 128.04 8.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.17 113.12 15.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mtm -128.45 118.36 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.69 96.36 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.64 103.25 2.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.39 106.99 1.97 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.467 HG13 ' CG2' ' C' ' 39' ' ' VAL . 0.2 OUTLIER -113.24 127.57 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 94.1 t -123.74 135.56 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 tt -142.53 130.52 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.482 ' CB ' ' HG ' ' B' ' 17' ' ' LEU . 2.0 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 54.7 t -103.15 93.52 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.13 92.42 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.03 133.08 44.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.51 100.58 3.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -114.82 125.15 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -120.64 99.02 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.71 91.5 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.13 136.7 12.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -88.68 129.05 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.944 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' B' ' 26' ' ' SER . 6.3 m-80 53.59 89.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.436 ' HB2' ' N ' ' B' ' 29' ' ' GLY . 9.3 mmtt -43.69 167.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.68 -175.99 38.43 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' D' ' 30' ' ' ALA . . . -48.18 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.73 107.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.498 ' CD1' ' C ' ' C' ' 32' ' ' ILE . 0.0 OUTLIER -112.17 111.43 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.24 134.16 11.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 tt -130.39 99.59 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mtp -113.29 118.79 35.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 70.3 t -107.85 115.78 49.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.09 97.68 1.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.44 96.06 1.45 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.467 ' CG2' HG13 ' B' ' 39' ' ' VAL . 81.6 t -105.85 123.36 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.78 109.19 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.461 ' CG2' HG12 ' D' ' 41' ' ' ILE . 0.4 OUTLIER -116.26 114.04 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 t -124.37 92.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -97.97 90.19 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.73 108.01 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.32 92.4 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -105.03 114.84 29.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 0.7 OUTLIER -126.97 125.22 41.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.475 HG11 ' CB ' ' E' ' 24' ' ' VAL . 0.2 OUTLIER -113.99 140.78 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.51 146.96 18.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -119.64 95.8 4.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.034 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' D' ' 26' ' ' SER . 0.3 OUTLIER 77.78 84.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -78.33 154.03 31.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' D' ' 30' ' ' ALA . . . -153.66 -167.84 16.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.516 ' CB ' ' N ' ' E' ' 30' ' ' ALA . . . 36.44 -143.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mt -105.68 137.55 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -136.81 103.23 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.13 135.18 12.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.29 102.9 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.738 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.33 108.58 16.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.549 ' CG2' ' CG1' ' E' ' 36' ' ' VAL . 38.9 t -106.07 111.44 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.6 155.56 20.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.23 76.78 0.23 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 71.0 t -92.41 110.21 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.8 t -118.43 112.82 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.461 HG12 ' CG2' ' C' ' 41' ' ' ILE . 26.8 mt -109.96 112.99 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -101.62 122.66 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.66 119.27 28.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.87 115.98 20.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.88 93.49 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.35 99.01 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -123.18 143.36 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.475 ' CB ' HG11 ' D' ' 24' ' ' VAL . 0.7 OUTLIER -131.69 121.34 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.66 133.45 11.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.3 103.46 15.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.46 86.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 94.4 mttt -84.18 136.64 33.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.72 -163.7 10.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.516 ' N ' ' CB ' ' D' ' 30' ' ' ALA . . . 51.06 -155.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.01 94.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -105.36 125.06 60.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.83 118.81 4.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tt -98.93 97.73 8.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.2 tpp -99.94 119.05 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.549 ' CG1' ' CG2' ' D' ' 36' ' ' VAL . 2.8 p -133.93 77.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.35 108.64 3.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.42 123.09 6.0 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 80.4 t -120.1 122.51 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.11 114.21 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -113.32 137.5 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -102.3 110.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.98 132.34 55.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -136.45 134.68 37.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.79 116.32 10.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.45 141.49 46.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 11.4 t0 -139.78 114.86 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 25' ' ' GLY . 6.9 t -80.99 116.84 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.51 84.11 0.36 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 25.6 m -82.08 87.81 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 26' ' ' SER . 8.8 t30 78.82 45.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.65 177.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . 178.62 171.56 42.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 29' ' ' GLY . . . 83.54 -158.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.4 ' CG2' ' HA ' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -95.86 129.16 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -139.78 100.9 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.97 136.75 16.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.5 95.54 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.41 120.33 41.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.54 125.54 74.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.89 113.07 1.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.4 125.54 8.6 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' B' ' 40' ' ' VAL . 61.2 t -131.09 86.71 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.777 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.4 t -111.87 109.29 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mt -116.02 113.55 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -137.24 102.63 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -106.3 105.59 15.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.27 125.88 54.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.35 97.87 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -107.59 144.84 34.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 28.1 t0 -140.97 113.82 8.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.93 102.54 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' VAL . . . -103.32 110.59 3.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.418 ' O ' ' N ' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -105.62 110.64 23.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.975 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 t30 53.82 52.02 13.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.448 ' NZ ' ' OD1' ' A' ' 23' ' ' ASP . 13.4 ptmt -81.69 158.22 24.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.411 ' O ' ' HA2' ' C' ' 29' ' ' GLY . . . -175.91 101.61 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.528 ' HB3' ' N ' ' C' ' 30' ' ' ALA . . . 177.72 -179.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.475 ' CG2' HG12 ' C' ' 31' ' ' ILE . 1.9 tt -87.53 96.52 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -107.05 144.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.92 107.18 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.436 ' CD2' HD13 ' C' ' 34' ' ' LEU . 1.7 mt -98.78 124.78 43.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.9 mtm -134.65 96.63 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.61 116.28 43.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.85 112.73 2.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.09 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.03 96.01 1.24 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' C' ' 39' ' ' VAL . 55.2 t -97.4 134.51 35.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' VAL . 89.7 t -150.25 105.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 mt -115.54 92.43 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t -106.74 93.44 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -97.01 114.13 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.497 ' CG ' ' CZ ' ' D' ' 20' ' ' PHE . 0.5 OUTLIER -121.81 142.37 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.96 124.37 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -131.29 124.13 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.434 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 1.5 t70 -120.27 119.95 34.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 75.3 t -100.68 118.73 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.77 119.24 4.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.419 ' O ' ' N ' ' D' ' 27' ' ' ASN . 0.3 OUTLIER -104.1 92.39 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.973 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' B' ' 26' ' ' SER . 1.6 t30 73.91 69.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' B' ' 23' ' ' ASP . 12.1 mtpt -75.3 158.64 32.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' B' ' 29' ' ' GLY . . . -164.96 -178.46 38.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.546 ' CB ' ' N ' ' D' ' 30' ' ' ALA . . . 68.4 -124.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.475 HG12 ' CG2' ' B' ' 31' ' ' ILE . 8.2 mt -123.69 147.12 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -139.44 136.28 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' D' ' 32' ' ' ILE . . . -116.63 97.73 0.77 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.436 HD13 ' CD2' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -98.32 91.6 5.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 7.0 mtp -110.25 111.66 23.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 10.7 p -125.78 130.89 72.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.356 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.14 152.48 24.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.14 110.78 0.47 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.483 ' CG2' HG13 ' B' ' 39' ' ' VAL . 0.9 OUTLIER -114.74 123.37 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 84.5 t -121.42 110.47 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 38.7 mt -107.3 113.34 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 43.3 t -144.59 93.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.469 ' CE1' ' CG2' ' E' ' 36' ' ' VAL . 3.1 t80 -104.85 100.46 10.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.497 ' CZ ' ' CG ' ' C' ' 20' ' ' PHE . 0.6 OUTLIER -109.92 110.23 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.73 100.52 10.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -106.17 128.42 53.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 13.4 t0 -137.25 124.51 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.37 116.68 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.01 120.21 4.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -101.81 98.42 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.006 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' C' ' 26' ' ' SER . 0.9 OUTLIER 76.61 89.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.434 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 37.8 mttt -92.16 174.06 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.82 -164.62 32.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.546 ' N ' ' CB ' ' C' ' 30' ' ' ALA . . . 56.97 -122.75 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.85 107.64 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' C' ' 33' ' ' GLY . 5.4 mm -91.01 128.53 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' E' ' 34' ' ' LEU . . . -112.58 98.32 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.59 103.2 12.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.99 96.69 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 p -115.79 105.09 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.93 151.4 18.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.569 1.168 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.78 98.57 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 p -109.1 130.25 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 79.2 t -137.54 125.61 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 47.5 mt -118.23 121.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 42.3 t -98.23 98.69 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -110.78 88.48 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.83 117.59 35.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.03 125.59 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -133.57 109.86 9.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.52 141.22 51.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -122.26 121.81 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.91 126.52 5.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.34 117.2 33.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 64.32 79.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.446 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 15.3 mtpt -87.42 167.82 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.5 -156.5 17.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.431 ' N ' ' CB ' ' D' ' 30' ' ' ALA . . . 57.19 -156.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.372 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.69 90.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 30.5 mt -77.07 136.94 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.87 70.66 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' D' ' 33' ' ' GLY . 0.7 OUTLIER -73.91 89.4 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.73 124.4 39.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.469 ' CG2' ' CE1' ' D' ' 19' ' ' PHE . 3.1 p -147.69 91.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.95 109.41 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.72 94.65 1.82 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 p -101.26 121.21 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -134.76 102.3 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mt -103.16 127.73 56.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.469 ' CG1' ' CG2' ' B' ' 18' ' ' VAL . 2.3 p -163.12 120.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.5 141.11 39.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.716 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 38.0 m-85 -132.76 96.57 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.68 130.38 55.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -149.26 148.97 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -120.56 93.39 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG1' HG22 ' B' ' 24' ' ' VAL . 63.2 t -79.96 68.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.71 134.55 12.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -113.26 102.1 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.041 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.51 76.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.91 -175.18 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.46 ' O ' ' CG2' ' A' ' 32' ' ' ILE . . . 164.57 -159.2 32.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.24 -168.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.451 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.2 tt -80.15 90.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 9.2 pt -108.95 132.78 56.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.77 125.94 8.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.84 73.4 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.9 ttm -93.31 129.47 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.56 110.54 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.54 113.32 4.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.15 90.1 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 38' ' ' GLY . 61.5 t -99.5 118.54 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.1 t -132.55 101.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 mt -96.19 111.94 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.469 ' CG2' ' CG1' ' A' ' 18' ' ' VAL . 58.9 t -103.57 145.87 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.84 103.38 5.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.716 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -102.58 129.41 49.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.04 90.83 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -107.76 118.65 37.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -112.07 102.36 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.479 HG22 ' CG1' ' A' ' 24' ' ' VAL . 12.8 p -106.02 128.75 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.421 ' HA3' ' CE ' ' C' ' 28' ' ' LYS . . . -145.63 138.37 7.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -93.65 93.4 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.8 t30 78.48 108.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.72 124.39 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.24 -135.65 3.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.79 -101.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.58 124.25 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.468 HG12 ' CG2' ' C' ' 32' ' ' ILE . 18.1 mt -122.04 150.56 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' C' ' 32' ' ' ILE . . . -139.13 79.11 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.06 119.78 30.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttp -130.06 110.12 11.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.58 119.06 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.96 128.35 8.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 39' ' ' VAL . . . -131.56 89.4 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -102.38 111.1 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.467 HG23 ' CG1' ' C' ' 40' ' ' VAL . 92.5 t -121.63 132.28 71.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 32.1 mt -129.65 119.09 47.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.433 ' CB ' ' HG ' ' B' ' 17' ' ' LEU . 3.1 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.96 113.33 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.79 99.76 9.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.434 ' CD2' ' CE1' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -95.24 132.12 40.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' B' ' 20' ' ' PHE . . . -130.91 92.74 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -106.37 132.17 52.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.421 ' CG ' ' NZ ' ' D' ' 28' ' ' LYS . 18.3 t0 -132.0 106.7 8.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.428 ' HA ' ' CG1' ' B' ' 24' ' ' VAL . 9.4 p -102.79 110.17 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.94 153.57 17.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.34 94.15 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 73.5 62.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.421 ' CE ' ' HA3' ' B' ' 25' ' ' GLY . 25.8 pttt -98.61 113.03 24.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.42 -145.45 6.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.43 ' HB2' ' N ' ' D' ' 30' ' ' ALA . . . 61.36 -139.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 37.7 mt -101.88 111.07 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.468 ' CG2' HG12 ' B' ' 32' ' ' ILE . 0.5 OUTLIER -125.86 134.31 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 141.47 12.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' D' ' 34' ' ' LEU . 0.2 OUTLIER -132.12 133.65 44.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.96 103.53 5.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 32.0 t -96.31 93.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.69 91.32 1.62 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.97 88.33 0.78 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 88.0 t -106.65 125.08 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.467 ' CG1' HG23 ' B' ' 40' ' ' VAL . 1.9 p -141.14 116.1 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 20.4 mt -112.32 144.65 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' D' ' 18' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' D' ' 17' ' ' LEU . 80.4 t -157.59 105.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.765 ' CE1' ' CE1' ' E' ' 19' ' ' PHE . 2.3 t80 -116.69 99.64 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.496 ' CG ' ' CZ ' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -97.95 104.44 16.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.08 110.77 23.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -121.69 130.96 53.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.437 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 66.7 t0 -132.69 129.3 38.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.417 ' CG2' HG13 ' C' ' 24' ' ' VAL . 6.0 p -119.77 123.12 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.97 127.12 5.66 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -96.08 98.9 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.79 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' D' ' 26' ' ' SER . 10.5 t-20 76.32 36.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' E' ' 27' ' ' ASN . 1.0 OUTLIER -76.08 95.54 3.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.8 -133.46 4.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.43 ' N ' ' HB2' ' C' ' 30' ' ' ALA . . . 52.52 -141.75 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.419 ' HB ' ' CD1' ' E' ' 31' ' ' ILE . 3.6 mp -98.92 91.51 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.44 139.81 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.27 122.6 2.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.466 ' HB2' ' CD2' ' E' ' 34' ' ' LEU . 0.4 OUTLIER -118.24 118.02 30.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 7.1 ttt -121.27 147.03 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.471 ' CG1' ' CG2' ' E' ' 36' ' ' VAL . 3.5 t -124.46 107.19 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.2 83.85 1.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.23 94.21 1.3 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' E' ' 40' ' ' VAL . 20.0 t -113.39 127.02 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.438 ' CG2' HG11 ' E' ' 40' ' ' VAL . 0.7 OUTLIER -144.91 100.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' E' ' 41' ' ' ILE . 1.8 pt -112.72 135.55 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 78.3 t -106.77 125.34 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.765 ' CE1' ' CE1' ' D' ' 19' ' ' PHE . 1.1 t80 -134.22 136.05 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.496 ' CZ ' ' CG ' ' D' ' 20' ' ' PHE . 0.8 OUTLIER -138.29 121.62 17.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.58 130.66 56.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.33 88.95 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.77 136.3 33.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.47 137.91 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.4 142.97 10.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.3 OUTLIER -104.6 115.63 30.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 0.781 . . . . 0.0 109.975 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.573 ' O ' ' C ' ' E' ' 28' ' ' LYS . 27.0 t30 87.32 -42.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' E' ' 27' ' ' ASN . 1.4 mtmt 26.57 60.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.83 -157.4 27.51 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 54.38 -140.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.747 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.419 ' CD1' ' HB ' ' D' ' 31' ' ' ILE . 4.1 mm -102.37 114.86 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.67 118.42 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.68 111.66 1.99 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' D' ' 34' ' ' LEU . 0.4 OUTLIER -109.42 136.17 49.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 14.9 ttt -144.24 134.6 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.053 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.471 ' CG2' ' CG1' ' D' ' 36' ' ' VAL . 12.6 m -103.11 144.96 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.79 124.69 7.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.27 68.01 0.5 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 39.6 t -86.5 138.03 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' E' ' 40' ' ' VAL . 2.5 t -146.65 82.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' D' ' 41' ' ' ILE . 2.8 mt -107.13 101.64 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.494 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 17' ' ' LEU . 53.9 t -157.97 122.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.68 122.43 38.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 22' ' ' GLU . 38.9 t80 -122.28 113.82 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.17 100.33 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -123.52 139.32 54.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 29.0 t0 -139.95 122.76 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 1.5 m -100.64 114.34 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' CA ' ' HD2' ' B' ' 28' ' ' LYS . . . -116.21 94.25 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 t -80.43 124.84 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.802 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t30 53.89 80.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -178.76 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 151.64 179.45 27.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.567 1.167 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 65.46 -165.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 109.205 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.511 HG21 ' CG1' ' B' ' 31' ' ' ILE . 7.5 tt -73.74 102.11 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.7 mm -94.44 142.36 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' B' ' 32' ' ' ILE . . . -139.27 71.59 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD11 ' CD2' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -98.01 86.56 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.4 mtt -90.19 103.58 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.5 t -106.15 124.87 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.34 124.5 3.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.44 126.1 6.51 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.2 t -132.25 93.82 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.475 HG22 ' CG1' ' B' ' 40' ' ' VAL . 75.2 t -114.7 125.48 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.585 1.178 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.3 mt -133.5 93.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.509 ' CB ' ' HB3' ' C' ' 17' ' ' LEU . 2.8 pp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 49.8 t -130.54 144.55 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -138.0 99.84 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -101.78 132.03 47.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.76 120.04 12.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.21 134.13 37.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -133.61 115.37 14.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.238 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' C' ' 25' ' ' GLY . 90.6 t -98.41 113.92 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.57 100.37 0.83 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.23 127.43 35.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 0.814 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 57.92 62.25 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.44 ' NZ ' ' OD1' ' A' ' 23' ' ' ASP . 19.5 mttt -64.76 159.11 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.38 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.91 -179.09 44.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.09 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.452 ' CB ' ' N ' ' C' ' 30' ' ' ALA . . . 58.43 -157.59 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.511 ' CG1' HG21 ' A' ' 31' ' ' ILE . 13.7 mt -74.8 115.37 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' GLY . 4.0 mm -115.61 88.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.43 102.13 2.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.582 1.176 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.427 ' CD2' HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -122.18 130.56 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 0.712 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.56 104.17 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 93.7 t -106.36 106.68 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.86 120.13 4.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.77 78.51 0.24 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.78 105.58 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.475 ' CG1' HG22 ' A' ' 40' ' ' VAL . 1.8 p -136.86 116.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mt -128.66 122.47 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.509 ' HB3' ' CB ' ' B' ' 17' ' ' LEU . 2.4 tt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -149.36 129.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.55 114.9 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -118.63 118.81 32.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.23 98.04 4.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.94 122.01 42.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.454 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 6.9 t0 -127.79 117.76 22.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 t -100.17 104.1 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 24' ' ' VAL . . . -107.46 115.83 4.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -102.02 128.88 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.784 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 59.89 70.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -75.12 152.49 38.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.31 -178.2 48.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.452 ' N ' ' CB ' ' B' ' 30' ' ' ALA . . . 63.23 -129.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mp -107.6 117.27 52.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 18.1 mm -114.18 105.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.41 110.17 2.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' D' ' 34' ' ' LEU . 0.3 OUTLIER -129.02 119.68 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -115.29 95.06 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 59.2 t -100.11 91.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.365 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.31 122.82 6.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.8 100.92 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' D' ' 38' ' ' GLY . 2.8 t -106.16 125.33 61.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.76 111.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.46 130.52 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t -137.3 109.22 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -112.93 126.26 55.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -134.04 113.0 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.62 94.67 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -109.31 107.89 18.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.082 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.429 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 31.4 t70 -121.25 120.39 35.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 t -107.59 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.88 124.11 8.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -116.63 126.14 52.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.729 . . . . 0.0 110.006 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' D' ' 26' ' ' SER . 21.1 t30 84.23 44.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 73.6 mttt -61.02 157.1 16.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.8 -170.87 43.76 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 61.95 -112.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 0.761 . . . . 0.0 109.258 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -128.17 122.41 58.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' D' ' 32' ' ' ILE . 1.2 mp -123.25 99.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.0 93.76 0.79 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.565 1.166 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.461 ' CD2' HD12 ' C' ' 34' ' ' LEU . 0.6 OUTLIER -110.04 108.25 18.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.12 97.74 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.88 104.76 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.12 155.15 17.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' C' ' 39' ' ' VAL . . . -151.97 95.13 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.95 119.97 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.84 119.98 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mt -119.26 128.06 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 92.5 t -138.89 108.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -114.87 128.49 56.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.19 104.78 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.99 122.12 45.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.83 114.59 17.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -140.41 122.94 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 m -127.9 121.68 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.102 . . . . 0.0 109.352 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.72 156.43 26.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.577 1.173 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.545 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.5 OUTLIER -128.82 71.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' E' ' 26' ' ' SER . 7.3 m-20 153.26 45.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 0.0 OUTLIER -73.1 148.11 44.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.385 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.6 -168.42 37.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.29 -147.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 0.732 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 mm -87.24 108.59 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.374 1.046 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.462 ' CG2' HG13 ' D' ' 32' ' ' ILE . 41.1 mm -110.55 77.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.13 103.99 2.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.76 141.63 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.8 150.67 42.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' E' ' 36' ' ' VAL . 0.2 OUTLIER -162.87 86.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.56 11.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.18 102.16 1.05 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 73.6 t -107.53 127.77 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.85 101.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -112.28 122.61 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' B' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.1 t -113.92 108.46 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.56 114.67 26.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CD1' ' CZ ' ' B' ' 20' ' ' PHE . 2.0 t80 -134.14 143.31 47.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.71 123.11 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -137.45 143.39 41.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -146.18 122.84 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.584 ' CG1' ' CG2' ' B' ' 24' ' ' VAL . 9.6 p -107.43 146.19 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.07 107.23 0.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 68.9 m -74.3 77.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.963 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 26' ' ' SER . 4.2 m120 84.39 99.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' CB ' ' HB2' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -130.17 -162.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 139.92 -139.54 9.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.32 -98.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.4 mt -134.12 102.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.433 ' CD1' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -125.85 128.4 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.75 112.51 1.97 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -100.39 128.3 46.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtt -143.03 118.02 10.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.99 129.32 75.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.57 83.42 0.35 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.97 120.87 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.8 t -136.42 125.63 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.9 t -131.16 137.45 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 tt -158.07 154.58 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.476 ' CD1' HD21 ' A' ' 17' ' ' LEU . 7.4 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' B' ' 17' ' ' LEU . 96.5 t -155.02 133.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -132.96 96.93 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.419 ' CZ ' ' CD1' ' A' ' 20' ' ' PHE . 1.2 t80 -118.83 134.46 55.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.04 105.59 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.47 129.81 55.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.454 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 35.1 t70 -126.56 97.75 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.598 ' CG1' ' CG2' ' C' ' 24' ' ' VAL . 12.4 p -96.07 119.32 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.24 134.03 8.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 15.1 m -100.51 100.56 11.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 0.736 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' B' ' 26' ' ' SER . 9.9 m-80 75.98 105.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.459 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 12.5 mttt -117.11 -164.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.6 -157.22 24.53 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.12 -95.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' C' ' 32' ' ' ILE . 83.2 mt -140.65 123.97 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.2 126.49 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.15 110.24 1.4 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tp -101.43 102.95 13.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mtm -120.63 120.58 36.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 23.4 m -117.55 133.74 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.18 100.1 0.76 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.32 89.12 0.54 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 75.5 t -111.21 106.39 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.0 t -112.59 113.37 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 15.1 tt -129.31 114.15 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.437 ' HB2' ' CB ' ' D' ' 17' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -94.18 100.52 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.3 121.95 45.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.6 130.9 28.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.04 109.55 10.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -116.79 123.94 48.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.448 ' OD2' ' NZ ' ' D' ' 28' ' ' LYS . 23.7 t70 -124.44 131.63 53.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.598 ' CG2' ' CG1' ' B' ' 24' ' ' VAL . 58.2 t -121.31 107.56 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.43 107.23 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.24 132.32 35.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 26' ' ' SER . 2.4 m120 59.98 55.04 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 9.8 mttt -67.27 153.75 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.23 -170.06 42.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.49 -147.07 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mp -78.19 113.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' B' ' 31' ' ' ILE . 11.8 mt -117.35 83.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.61 101.62 2.79 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tp -112.72 115.05 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 21.0 ttt -136.95 101.68 4.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.427 ' CG1' HG23 ' D' ' 36' ' ' VAL . 23.2 m -91.68 123.67 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.98 126.46 8.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.21 96.74 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -120.1 132.85 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 53.2 t -125.72 101.92 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 tt -117.65 108.12 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.437 ' CB ' ' HB2' ' C' ' 17' ' ' LEU . 3.8 mp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -132.65 129.4 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -131.31 99.27 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.19 133.03 53.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.59 106.82 8.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.3 137.1 52.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.427 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 27.0 t0 -141.57 108.58 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -103.88 105.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.67 131.58 9.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.445 ' O ' ' N ' ' E' ' 27' ' ' ASN . 0.4 OUTLIER -102.12 131.16 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.045 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 65.24 71.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.448 ' NZ ' ' OD2' ' C' ' 23' ' ' ASP . 16.4 mttt -88.98 131.51 35.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.423 ' N ' HD13 ' D' ' 32' ' ' ILE . . . -163.21 -155.21 8.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 54.37 -101.22 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 34.7 mt -130.86 114.62 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.423 HD13 ' N ' ' D' ' 29' ' ' GLY . 2.7 mp -111.56 99.41 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 115.04 4.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tp -130.0 112.13 13.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.43 121.43 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.427 HG23 ' CG1' ' C' ' 36' ' ' VAL . 2.4 t -95.77 121.91 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . -107.38 82.54 0.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.3 76.13 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 73.8 t -108.67 140.31 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 66.4 t -135.31 109.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 tt -117.84 122.0 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.78 123.83 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -124.33 122.51 37.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -134.24 117.79 16.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.77 106.38 12.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.33 101.82 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.66 130.68 53.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 42.6 t -131.61 108.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.69 142.31 13.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.67 135.79 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' D' ' 26' ' ' SER . 0.8 OUTLIER 66.58 79.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.427 ' NZ ' ' OD1' ' D' ' 23' ' ' ASP . 5.5 mttt -102.29 52.93 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.11 60.68 0.7 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.01 -145.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.54 98.43 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -93.44 122.27 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.96 72.57 0.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' E' ' 34' ' ' LEU . 0.1 OUTLIER -92.17 117.17 29.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.746 . . . . 0.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.7 mtm -127.14 120.39 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 95.7 t -87.81 102.46 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.0 75.73 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' D' ' 37' ' ' GLY . . . -108.05 70.27 0.21 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -112.62 126.08 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -123.27 113.15 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 tt -118.62 124.31 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.434 HD23 ' CB ' ' B' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.1 t -101.46 128.43 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -134.62 90.46 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 0.1 OUTLIER -82.07 130.84 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.78 82.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.27 127.65 56.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.445 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 30.5 t70 -112.01 90.86 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.3 t -76.23 104.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.05 98.33 0.6 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.2 m -78.34 95.41 5.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 0.778 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.3 t30 74.46 123.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' CB ' ' HB2' ' B' ' 28' ' ' LYS . 5.5 pttp -168.39 -163.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 28' ' ' LYS . . . 158.86 -133.73 3.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.65 -149.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.268 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 mt -82.41 118.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.573 ' CD1' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -126.91 119.64 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.417 ' N ' HD11 ' A' ' 32' ' ' ILE . . . -105.78 114.98 4.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -111.94 126.19 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.41 ' N ' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -148.9 97.9 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.514 ' CG1' ' CG2' ' B' ' 36' ' ' VAL . 21.4 t -106.58 122.09 60.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.02 96.1 0.47 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.22 125.61 8.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.12 96.33 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.345 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 7.7 m -115.06 103.21 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.6 mt -100.19 119.85 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.439 ' CD2' HG12 ' C' ' 40' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -85.96 122.83 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -130.99 92.6 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.483 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -95.33 121.85 37.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.86 106.11 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -127.21 143.81 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 62.5 t0 -131.76 107.06 8.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 90.8 t -93.46 94.69 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.24 111.98 3.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 67.4 m -89.75 94.99 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' B' ' 26' ' ' SER . 7.9 t30 82.9 95.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 10.6 mttt -108.91 -174.21 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.96 -165.9 31.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.42 ' HB1' ' N ' ' C' ' 30' ' ' ALA . . . 61.26 -143.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.51 95.03 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.555 ' C ' ' CD1' ' B' ' 32' ' ' ILE . 0.0 OUTLIER -107.19 121.36 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.436 ' N ' HD11 ' B' ' 32' ' ' ILE . . . -108.02 129.65 9.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -130.22 109.2 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.0 mtp -137.0 134.45 36.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.514 ' CG2' ' CG1' ' A' ' 36' ' ' VAL . 7.5 m -131.77 146.95 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.26 113.19 0.79 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.28 83.87 0.35 Allowed Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.61 74.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.42 0.718 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.19 137.26 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' C' ' 40' ' ' VAL . 3.5 mp -128.11 138.09 55.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.472 HG13 ' CG2' ' D' ' 18' ' ' VAL . 5.0 t -130.79 80.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.39 122.23 33.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.16 122.12 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.37 109.87 12.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -125.3 112.42 16.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.412 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 31.1 t70 -103.12 99.6 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' D' ' 23' ' ' ASP . 61.6 t -92.48 92.77 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.32 132.61 10.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' D' ' 27' ' ' ASN . 19.2 m -109.29 116.74 32.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' B' ' 26' ' ' SER . 6.6 t-20 73.47 51.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.441 ' CE ' ' HD3' ' B' ' 28' ' ' LYS . 15.5 ttpt -76.24 167.52 21.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.42 -152.04 22.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.42 ' N ' ' HB1' ' B' ' 30' ' ' ALA . . . 63.69 -127.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mt -117.28 113.16 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.51 ' CG2' ' HA ' ' B' ' 32' ' ' ILE . 4.0 tt -124.41 139.74 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.78 83.13 0.35 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.085 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' C' ' 34' ' ' LEU . 0.2 OUTLIER -82.46 102.69 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtt -127.23 118.01 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' B' ' 36' ' ' VAL . 28.5 m -118.11 121.7 67.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.19 117.36 3.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.3 98.95 0.8 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 66.9 t -105.2 129.77 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 41' ' ' ILE . 9.6 t -135.36 133.88 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mm -133.22 92.13 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.472 ' CG2' HG13 ' C' ' 18' ' ' VAL . 0.9 OUTLIER -147.27 118.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -113.55 132.98 55.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.3 118.68 25.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.79 84.53 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -101.83 121.45 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' C' ' 24' ' ' VAL . 28.0 t70 -119.81 122.03 40.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' E' ' 24' ' ' VAL . 4.3 t -115.36 82.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.53 121.07 6.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 73.4 m -96.4 115.65 27.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 0.768 . . . . 0.0 110.005 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' D' ' 26' ' ' SER . 1.9 t-20 78.58 72.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.412 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 20.2 mtpt -89.61 151.84 21.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.0 -160.51 26.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.17 -107.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 59.3 mt -130.05 117.38 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.492 ' CG2' HG13 ' C' ' 32' ' ' ILE . 3.7 mt -112.87 139.64 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' E' ' 34' ' ' LEU . . . -135.23 111.78 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.75 79.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mtp -105.11 96.26 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 17.9 m -101.4 119.5 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.53 133.35 11.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.82 92.39 0.23 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -103.72 131.64 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.11 97.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.459 ' CG1' HG12 ' E' ' 41' ' ' ILE . 6.4 mm -97.98 116.57 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.405 ' CG2' HG12 ' D' ' 18' ' ' VAL . 83.1 t -107.72 108.55 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -99.66 86.48 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.48 125.49 34.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.63 80.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.01 115.57 27.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.56 141.25 52.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.469 ' CG2' HG11 ' D' ' 24' ' ' VAL . 1.9 p -148.0 108.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.38 155.16 25.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.81 151.43 23.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' D' ' 26' ' ' SER . 2.1 m-80 53.6 87.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.421 ' CD ' HD12 ' E' ' 32' ' ' ILE . 0.1 OUTLIER -110.65 108.81 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.06 -149.48 7.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.428 1.08 . . . . 0.0 110.995 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.83 -149.52 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 tt -103.29 93.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.421 HD12 ' CD ' ' E' ' 28' ' ' LYS . 40.6 mt -74.29 93.52 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.95 71.47 2.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' D' ' 33' ' ' GLY . 0.2 OUTLIER -91.72 103.7 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.3 ptm -147.11 146.74 30.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 m -127.76 145.62 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.75 91.99 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.59 67.88 0.93 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -89.32 96.85 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -106.37 123.78 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . 0.459 HG12 ' CG1' ' D' ' 41' ' ' ILE . 15.0 mt -132.75 130.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.5 t -145.59 119.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -120.9 125.98 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.635 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 1.4 m-85 -126.28 76.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.27 95.61 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.1 148.06 43.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 26.8 t0 -137.64 93.57 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.9 t -79.37 84.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.11 126.75 8.87 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 p -109.86 101.97 10.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 0.727 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.83 114.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 3.8 pttt -168.64 -175.68 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.9 -127.07 2.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.48 -101.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.5 mt -130.06 106.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.43 117.6 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.45 95.11 0.95 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.09 114.35 28.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttm -125.23 114.71 19.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 p -121.32 123.36 69.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.89 131.31 9.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.6 112.91 2.76 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.71 102.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.4 t -121.64 102.64 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.2 mt -102.21 83.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.5 t -129.96 118.34 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -121.99 93.34 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.635 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -95.7 136.59 35.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.11 84.22 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.408 ' OE2' ' CG2' ' B' ' 24' ' ' VAL . 11.0 tt0 -106.84 122.54 46.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.11 107.83 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.367 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.408 ' CG2' ' OE2' ' B' ' 22' ' ' GLU . 54.3 t -94.94 98.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.09 111.89 2.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 40.5 m -95.09 100.36 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.8 t30 76.99 55.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -104.08 -178.34 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.08 -130.42 4.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.95 -101.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mt -134.16 101.12 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.487 HG13 ' CG2' ' C' ' 32' ' ' ILE . 4.1 tt -116.81 147.27 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.27 86.43 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mp -92.92 133.13 36.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.5 ttt -144.72 100.8 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 p -112.23 138.07 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.23 133.08 6.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.446 1.091 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.91 92.56 0.56 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 t -94.26 135.34 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 86.7 t -148.03 127.91 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 57.4 mt -130.11 121.2 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' D' ' 17' ' ' LEU . 20.8 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.474 ' CG2' HG12 ' D' ' 18' ' ' VAL . 7.3 t -82.17 80.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.59 88.87 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.26 118.06 35.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.54 113.69 20.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -133.2 137.83 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.429 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 63.3 t0 -132.51 107.84 8.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.33 98.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.57 122.75 6.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.47 99.81 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.7 73.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.46 110.22 17.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.96 -144.18 6.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.415 ' HB1' ' N ' ' D' ' 30' ' ' ALA . . . 55.4 -137.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.69 116.71 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.487 ' CG2' HG13 ' B' ' 32' ' ' ILE . 0.8 OUTLIER -132.35 127.48 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.14 146.38 18.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.473 ' CD2' ' C ' ' C' ' 34' ' ' LEU . 3.7 tt -153.11 119.44 5.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.6 141.39 48.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 t -136.04 95.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.3 107.5 2.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.34 104.42 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -117.55 135.06 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.39 118.28 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.362 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 8.6 mt -113.84 131.18 66.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.472 ' CA ' ' O ' ' E' ' 17' ' ' LEU . 1.5 mm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.474 HG12 ' CG2' ' C' ' 18' ' ' VAL . 2.2 m -138.74 113.24 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -116.44 109.82 17.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.444 ' CG ' ' CZ ' ' E' ' 20' ' ' PHE . 0.3 OUTLIER -106.0 123.47 48.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.14 105.89 8.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.78 126.9 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.44 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 40.9 t0 -123.66 120.93 34.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 74.3 t -109.89 102.24 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.29 120.54 5.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.94 99.58 11.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 71.46 86.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 8.8 pttt -128.24 113.42 15.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.89 -141.66 4.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.415 ' N ' ' HB1' ' C' ' 30' ' ' ALA . . . 58.09 -100.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 78.1 mt -138.19 110.71 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.566 ' C ' ' CD1' ' D' ' 32' ' ' ILE . 0.0 OUTLIER -137.19 113.93 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.425 ' N ' HD12 ' D' ' 32' ' ' ILE . . . -121.44 130.63 8.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.448 ' CD1' HG22 ' D' ' 36' ' ' VAL . 0.7 OUTLIER -123.71 132.45 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.265 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.08 132.95 56.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' D' ' 34' ' ' LEU . 55.9 t -128.05 96.58 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.12 124.63 8.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.5 103.13 0.49 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 p -116.88 131.87 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 76.1 t -134.0 135.51 54.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 mt -129.66 121.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' D' ' 17' ' ' LEU . 7.1 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.405 HG13 ' O ' ' E' ' 17' ' ' LEU . 3.2 m -141.29 137.48 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -157.73 118.43 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.444 ' CZ ' ' CG ' ' D' ' 20' ' ' PHE . 1.3 m-85 -118.77 127.73 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.87 110.71 12.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -116.67 100.83 8.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -97.49 126.66 42.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -126.57 98.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.73 133.03 10.44 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -104.74 113.83 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 65.38 77.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.44 ' NZ ' ' OD1' ' D' ' 23' ' ' ASP . 21.0 pttt -119.46 98.08 5.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.11 -134.48 6.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 50.7 -145.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mt -102.14 98.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.427 ' CD1' ' C ' ' E' ' 32' ' ' ILE . 0.0 OUTLIER -122.23 130.51 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.54 127.41 4.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.87 124.63 43.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.7 tpp -106.47 131.24 53.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -125.69 95.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.68 137.73 13.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.45 1.094 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.5 99.39 0.24 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.61 134.32 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 69.3 t -138.53 131.84 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 7.0 mt -124.45 124.28 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -105.31 155.48 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.74 112.4 14.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CD2' ' CZ ' ' B' ' 20' ' ' PHE . 1.6 m-85 -108.45 77.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.35 128.67 52.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.96 152.29 24.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -132.03 102.47 5.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.06 124.22 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.84 106.29 1.01 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 27' ' ' ASN . 4.4 p -98.47 99.38 10.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t30 63.24 163.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 60.35 113.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.11 -50.31 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.432 ' HB1' ' N ' ' B' ' 30' ' ' ALA . . . 42.61 -146.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.53 106.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' CG1' HG23 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -129.72 142.56 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' B' ' 34' ' ' LEU . . . -127.27 107.75 0.91 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.17 92.25 4.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtt -105.51 118.34 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -125.6 140.89 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.65 114.9 1.89 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.43 114.66 4.33 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 t -126.33 91.81 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.4 t -100.79 102.86 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -116.53 113.75 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.413 ' HA ' ' HA ' ' C' ' 17' ' ' LEU . 1.2 mp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.47 HG21 ' CG1' ' C' ' 18' ' ' VAL . 3.6 m -140.09 151.61 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.33 102.05 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.482 ' CZ ' ' CD2' ' A' ' 20' ' ' PHE . 1.9 m-85 -103.55 125.03 49.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.33 82.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.425 ' CG ' ' HG3' ' C' ' 22' ' ' GLU . 14.1 pt-20 -106.01 142.13 36.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.424 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 19.5 t0 -128.43 100.79 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -80.91 82.11 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.91 107.1 3.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' C' ' 27' ' ' ASN . 28.8 t -100.22 111.07 23.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.8 m120 62.91 69.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -73.15 -95.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.55 176.2 48.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.432 ' N ' ' HB1' ' A' ' 30' ' ' ALA . . . 64.86 -144.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.85 116.89 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.529 ' C ' ' CD1' ' B' ' 32' ' ' ILE . 0.0 OUTLIER -137.52 110.3 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.68 145.06 17.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -137.28 126.31 24.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -140.4 106.38 5.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.75 125.21 73.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.19 111.95 3.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.45 93.06 0.8 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.99 138.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 52.8 t -143.23 88.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.8 mt -97.39 120.55 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.499 ' N ' ' CD2' ' C' ' 17' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.47 ' CG1' HG21 ' B' ' 18' ' ' VAL . 2.9 t -84.61 140.21 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.467 ' CE2' ' CD2' ' D' ' 19' ' ' PHE . 39.5 t80 -147.47 89.79 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.46 137.96 31.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.2 100.79 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' CG ' ' B' ' 22' ' ' GLU . 2.9 tt0 -117.12 132.68 56.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.451 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 37.6 t0 -123.38 106.08 10.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 38.2 t -95.31 102.52 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.01 112.79 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.09 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 0.5 OUTLIER -95.69 93.66 7.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' C' ' 26' ' ' SER . 8.0 t-20 80.03 67.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.424 ' NZ ' ' OD1' ' B' ' 23' ' ' ASP . 16.5 mtmt -64.81 -101.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.92 -171.84 53.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.575 1.172 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.435 ' CB ' ' N ' ' D' ' 30' ' ' ALA . . . 58.05 -142.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mt -106.24 114.06 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.451 ' CG1' HG12 ' B' ' 32' ' ' ILE . 0.1 OUTLIER -128.4 123.22 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.32 124.53 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.49 113.58 23.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.05 100.37 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.03 107.04 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -100.97 102.14 2.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.35 93.66 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.464 ' CG2' HG11 ' D' ' 39' ' ' VAL . 1.0 OUTLIER -127.46 127.37 68.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.1 t -118.48 104.93 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 mt -105.69 109.88 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.564 ' N ' ' CD1' ' D' ' 17' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -121.74 94.33 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.467 ' CD2' ' CE2' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -83.32 135.08 34.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.414 ' CB ' ' HA ' ' E' ' 20' ' ' PHE . 0.7 OUTLIER -139.95 102.81 4.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.17 95.04 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . 0.401 ' CG ' ' OE1' ' C' ' 22' ' ' GLU . 4.0 tt0 -108.11 119.54 39.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.451 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 31.9 t70 -116.48 116.73 28.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 37.8 t -110.46 90.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.95 116.31 4.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -92.21 95.69 9.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.963 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' D' ' 26' ' ' SER . 0.4 OUTLIER 78.39 76.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 27.8 mttt -67.25 -92.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.96 -161.26 50.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' E' ' 30' ' ' ALA . . . 44.62 -144.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.12 111.31 34.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 tt -128.54 113.45 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.17 108.67 3.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.66 112.78 24.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.19 123.77 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.97 107.2 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.68 112.36 4.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' C' ' 37' ' ' GLY . . . -136.08 74.23 0.42 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 0.464 HG11 ' CG2' ' C' ' 39' ' ' VAL . 17.4 t -112.15 143.61 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -138.69 134.5 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.404 HD11 ' CD1' ' E' ' 41' ' ' ILE . 96.5 mt -135.4 108.95 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -97.55 127.78 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.69 84.11 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.414 ' HA ' ' CB ' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -93.87 126.74 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.03 116.7 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -124.47 85.4 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -84.44 122.46 29.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -120.19 109.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.44 135.91 8.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.69 110.35 22.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.23 78.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.451 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 51.1 mttt -72.19 -81.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.31 -154.26 38.0 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.493 1.12 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' D' ' 30' ' ' ALA . . . 47.17 -148.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.767 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 mm -107.73 111.83 37.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.37 149.4 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.74 123.51 1.8 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.52 133.24 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.34 121.81 19.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.34 100.98 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.59 88.98 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.29 68.73 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 92.9 t -113.37 129.37 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 48.6 t -122.92 114.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . 0.404 ' CD1' HD11 ' D' ' 41' ' ' ILE . 13.0 mm -113.5 97.12 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 ' CD2' ' CB ' ' B' ' 17' ' ' LEU . 21.1 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -149.41 121.01 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.34 109.24 10.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -107.7 121.42 44.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.14 77.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.17 133.09 34.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -130.23 82.56 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.72 115.65 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.15 94.16 0.35 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 1.1 t -80.59 89.73 5.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.3 t30 81.13 102.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 174.9 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.58 50.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.06 -171.94 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.9 mt -74.38 143.48 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -141.19 111.32 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.13 112.08 3.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.11 115.04 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.61 93.15 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.467 HG11 ' CG2' ' B' ' 36' ' ' VAL . 16.6 t -98.03 86.61 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.62 137.22 15.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.91 139.68 6.3 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.522 ' CG2' ' CG1' ' B' ' 39' ' ' VAL . 4.4 m -137.97 124.13 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.6 ' CG2' ' CG1' ' B' ' 40' ' ' VAL . 59.7 t -122.17 125.77 73.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.458 ' CG2' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -146.48 107.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.467 ' HG ' ' CB ' ' C' ' 17' ' ' LEU . 1.4 tt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 t -113.04 128.92 69.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -137.84 99.1 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.551 ' CD2' ' CE1' ' C' ' 20' ' ' PHE . 0.6 OUTLIER -98.71 124.96 43.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.22 108.49 5.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.86 148.46 52.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 36.8 t0 -137.54 111.23 8.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.5 t -95.93 98.78 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.63 111.3 3.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -94.6 104.87 16.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 0.771 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.3 t-20 82.28 51.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -50.34 171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.405 ' O ' ' HA2' ' C' ' 29' ' ' GLY . . . 161.38 41.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.18 172.79 12.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.419 HD12 ' CG1' ' C' ' 31' ' ' ILE . 7.4 mt -78.04 88.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' C' ' 32' ' ' ILE . 2.7 tt -82.74 119.95 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.53 85.84 0.4 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.5 119.36 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 0.725 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.14 120.65 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.467 ' CG2' HG11 ' A' ' 36' ' ' VAL . 3.0 m -127.4 151.34 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.76 100.75 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.39 81.35 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.522 ' CG1' ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -98.99 137.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.6 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 2.4 p -155.5 110.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 tt -127.52 136.12 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.467 ' CB ' ' HG ' ' B' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.6 t -143.68 112.39 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.404 ' CE1' ' HB ' ' D' ' 36' ' ' VAL . 0.3 OUTLIER -124.84 139.41 53.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.551 ' CE1' ' CD2' ' B' ' 20' ' ' PHE . 0.3 OUTLIER -141.38 111.58 6.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.23 101.18 7.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -115.47 118.73 34.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.451 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 63.3 t0 -112.3 109.25 18.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 72.7 t -92.23 87.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.88 144.72 17.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -133.92 94.94 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' C' ' 26' ' ' SER . 21.1 t-20 84.2 90.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.446 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 88.1 mttt -97.35 132.78 42.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' C' ' 30' ' ' ALA . . . -148.74 82.48 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' C' ' 29' ' ' GLY . . . 165.22 -109.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.419 ' CG1' HD12 ' B' ' 31' ' ' ILE . 12.4 mt -138.77 148.26 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.525 ' CD1' ' C ' ' C' ' 32' ' ' ILE . 0.0 OUTLIER -152.9 99.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.96 125.81 8.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 99.26 7.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.03 122.07 39.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.404 ' HA ' ' CG2' ' D' ' 36' ' ' VAL . 11.6 m -129.8 116.05 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -93.89 122.79 7.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.4 81.12 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.584 ' CG2' ' CG1' ' D' ' 39' ' ' VAL . 1.3 m -113.46 129.77 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.32 115.25 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.443 ' CG2' HG13 ' D' ' 41' ' ' ILE . 6.0 tt -119.09 128.35 75.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.255 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -106.91 115.88 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' E' ' 36' ' ' VAL . 0.5 OUTLIER -124.36 116.92 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 111.049 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.0 119.72 35.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.66 117.78 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.17 139.47 53.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.452 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 53.9 t0 -139.19 129.34 25.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 65.5 t -117.81 106.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.75 98.91 0.94 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 2.8 t -86.39 111.56 20.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.066 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' D' ' 26' ' ' SER . 28.2 t30 76.64 43.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 22.9 mtpt -55.28 156.65 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.35 57.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' E' ' 30' ' ' ALA . . . -158.49 -157.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 62.8 mt -99.66 107.53 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.8 127.02 69.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' E' ' 34' ' ' LEU . . . -119.99 100.69 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.93 95.47 10.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.22 121.5 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.427 ' HA ' ' CG2' ' E' ' 36' ' ' VAL . 21.0 m -126.43 103.06 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . -81.52 110.53 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' C' ' 37' ' ' GLY . . . -120.09 94.76 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 0.584 ' CG1' ' CG2' ' C' ' 39' ' ' VAL . 15.5 t -125.35 142.06 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 0.736 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.418 ' HA ' ' CG1' ' E' ' 40' ' ' VAL . 2.6 p -145.46 120.89 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.466 HG21 ' CD1' ' E' ' 41' ' ' ILE . 19.9 tt -122.84 135.73 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 18.8 t -116.84 113.12 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.6 149.97 41.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -154.23 90.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.31 139.92 30.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.45 94.07 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -99.62 133.32 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 76.3 t -131.17 103.19 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.2 153.22 16.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.3 OUTLIER -120.7 142.58 49.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' E' ' 26' ' ' SER . 1.0 OUTLIER 80.8 -52.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.452 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 66.5 mttt 39.81 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.72 35.51 2.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.095 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' D' ' 30' ' ' ALA . . . -130.87 -138.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 70.5 mt -123.71 128.41 74.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tt -140.91 139.61 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.91 100.36 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' D' ' 33' ' ' GLY . 0.3 OUTLIER -74.5 79.93 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -95.47 100.51 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.548 ' HB ' ' CE1' ' D' ' 19' ' ' PHE . 28.5 m -107.28 127.03 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.84 120.45 5.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' D' ' 37' ' ' GLY . . . -133.87 68.43 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 45.7 t -116.28 125.91 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' D' ' 40' ' ' VAL . 9.7 p -121.55 129.0 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' D' ' 41' ' ' ILE . 1.5 tt -124.45 112.03 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' B' ' 18' ' ' VAL . 5.8 p -93.32 126.38 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.51 142.55 47.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CD2' ' CE2' ' B' ' 20' ' ' PHE . 0.4 OUTLIER -125.49 93.09 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.98 109.53 21.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -139.45 141.15 37.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 17.1 t0 -137.09 110.19 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.76 98.34 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.44 77.79 0.65 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' N ' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -75.71 104.43 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.0 t30 71.32 76.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -84.4 -169.73 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.234 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 148.37 172.24 18.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' B' ' 30' ' ' ALA . . . 71.04 -152.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.337 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mt -84.35 130.85 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 tt -147.36 125.13 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.95 103.72 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.27 147.52 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.95 142.89 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.01 115.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.73 114.91 4.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.71 118.01 3.95 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.73 134.96 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 p -138.5 136.14 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -142.31 108.47 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.503 ' CD2' ' HB2' ' C' ' 17' ' ' LEU . 6.4 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.462 ' CG2' HG12 ' A' ' 18' ' ' VAL . 10.1 p -140.49 123.76 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.529 ' CZ ' ' HA3' ' D' ' 38' ' ' GLY . 0.3 OUTLIER -123.18 106.77 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.422 ' CE2' ' CD2' ' A' ' 20' ' ' PHE . 2.2 m-85 -93.71 140.78 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.38 96.5 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.436 ' HB2' ' CG ' ' C' ' 22' ' ' GLU . 11.2 mt-10 -120.07 139.62 52.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.444 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 4.9 t0 -137.96 121.07 16.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -92.6 105.79 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.83 86.01 0.47 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.1 OUTLIER -85.0 99.86 11.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' B' ' 26' ' ' SER . 0.9 OUTLIER 80.2 92.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 0.2 OUTLIER -105.69 158.45 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.4 -174.5 44.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . 63.11 -122.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mt -106.67 130.51 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mp -127.93 135.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' C' ' 32' ' ' ILE . . . -148.65 122.81 1.55 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.41 128.65 31.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtp -129.89 135.02 47.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -123.18 146.85 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.86 115.78 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.15 88.81 0.32 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -110.81 126.13 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.454 HG23 ' CG1' ' C' ' 40' ' ' VAL . 7.1 p -134.7 124.64 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.512 ' CG2' ' CG1' ' C' ' 41' ' ' ILE . 0.5 OUTLIER -131.47 113.15 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.503 ' HB2' ' CD2' ' B' ' 17' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.54 ' CG1' ' CG2' ' D' ' 18' ' ' VAL . 4.3 p -128.32 94.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.743 ' CE2' ' CD2' ' D' ' 19' ' ' PHE . 0.4 OUTLIER -93.99 138.08 32.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.06 113.22 14.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.53 91.81 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.436 ' CG ' ' HB2' ' B' ' 22' ' ' GLU . 2.5 mt-10 -115.78 123.69 48.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.454 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 18.4 t0 -132.14 106.42 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.47 ' CG2' HG11 ' D' ' 24' ' ' VAL . 18.0 m -90.47 118.17 35.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.69 118.41 4.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 21.9 t -102.36 106.14 16.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' C' ' 26' ' ' SER . 19.5 t30 82.83 70.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.444 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 24.9 mttt -83.88 161.32 20.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 169.46 -172.01 43.38 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.425 ' HB3' ' N ' ' D' ' 30' ' ' ALA . . . 67.82 -94.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.409 ' O ' ' O ' ' D' ' 30' ' ' ALA . 3.4 mp -138.72 119.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' B' ' 33' ' ' GLY . 4.1 mp -115.95 104.63 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.39 115.85 3.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.82 128.86 44.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mtt -130.21 126.28 37.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.12 123.81 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.95 132.51 9.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.81 87.21 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -106.49 122.55 60.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 0.777 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.454 ' CG1' HG23 ' B' ' 40' ' ' VAL . 7.4 p -129.93 124.95 59.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.512 ' CG1' ' CG2' ' B' ' 41' ' ' ILE . 0.0 OUTLIER -122.18 124.03 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 109.321 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.455 HD23 ' CG2' ' E' ' 40' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.54 ' CG2' ' CG1' ' C' ' 18' ' ' VAL . 54.9 t -115.32 115.71 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.743 ' CD2' ' CE2' ' C' ' 19' ' ' PHE . 0.3 OUTLIER -109.17 87.68 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 111.04 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.601 ' CD2' ' CE1' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -91.65 106.13 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.72 102.24 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.81 138.49 52.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.424 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 37.1 t0 -146.36 142.9 28.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.47 HG11 ' CG2' ' C' ' 24' ' ' VAL . 10.1 m -127.5 144.55 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.31 105.69 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.5 OUTLIER -86.2 106.89 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.997 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' D' ' 26' ' ' SER . 4.5 t-20 82.68 63.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 43.1 mttt -72.34 178.6 3.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.5 94.18 0.44 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' E' ' 30' ' ' ALA . . . 171.25 -158.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.42 83.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 24.3 mt -83.43 122.45 37.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.37 88.18 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -102.89 126.16 49.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 8.2 ttt -134.38 124.87 26.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.28 119.24 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.71 89.92 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' CZ ' ' B' ' 19' ' ' PHE . . . -92.49 79.32 1.17 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -104.6 134.76 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.47 ' CG2' HG11 ' E' ' 40' ' ' VAL . 0.4 OUTLIER -148.71 109.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' E' ' 40' ' ' VAL . 14.5 mt -113.43 119.37 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 78.1 t -117.54 137.56 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.448 ' CE1' ' CE1' ' D' ' 19' ' ' PHE . 40.4 t80 -135.87 105.91 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' CD2' ' D' ' 20' ' ' PHE . 1.1 t80 -107.24 139.34 41.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' D' ' 20' ' ' PHE . . . -145.52 107.0 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -120.43 113.28 20.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.57 134.51 55.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.447 ' HA ' ' CG2' ' D' ' 24' ' ' VAL . 8.6 m -123.16 127.08 74.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.47 119.14 2.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.1 OUTLIER -98.42 115.11 27.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' E' ' 26' ' ' SER . 9.4 t-20 81.64 53.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.424 ' NZ ' ' OD1' ' D' ' 23' ' ' ASP . 41.5 mttt -65.01 143.42 57.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.47 -169.96 39.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' D' ' 30' ' ' ALA . . . 59.5 -95.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mm -121.88 140.91 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 75.3 mt -140.19 67.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.61 133.82 11.46 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 pp -148.62 111.31 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.6 mtt -111.07 113.79 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.09 120.56 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.26 124.84 8.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.85 70.84 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 83.2 t -92.1 135.63 26.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' E' ' 40' ' ' VAL . 2.5 t -139.62 80.62 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 66.0 mt -99.33 92.1 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' B' ' 19' ' ' PHE . 79.0 t -106.77 102.19 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.25 124.55 48.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -133.68 134.59 43.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.04 121.14 12.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -133.26 131.85 40.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.443 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 16.5 t0 -116.46 98.04 6.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 t -82.84 104.63 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.481 ' HA3' ' CE ' ' B' ' 28' ' ' LYS . . . -114.69 100.53 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 23.4 m -74.34 73.19 1.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 72.11 -171.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HB3' ' N ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER 58.38 165.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.37 83.47 0.53 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.63 -66.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mt -121.69 110.66 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tt -114.07 113.34 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.52 85.8 0.57 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 131.07 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.6 mtp -145.31 135.06 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.86 112.97 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.89 133.97 11.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.48 144.07 14.34 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.459 ' CG1' ' HB ' ' B' ' 39' ' ' VAL . 2.8 p -154.88 131.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.8 t -130.99 134.84 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.5 tt -141.73 96.14 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.482 ' HG ' ' CB ' ' C' ' 17' ' ' LEU . 7.2 mp . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' C' ' 17' ' ' LEU . 54.6 t -81.53 125.92 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -127.37 93.37 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.19 108.94 20.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.36 103.04 10.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -116.04 133.4 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -122.1 92.07 3.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' B' ' 24' ' ' VAL . 2.9 t -79.5 77.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.68 110.12 3.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' C' ' 27' ' ' ASN . 6.4 t -85.27 106.14 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 109.951 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 26' ' ' SER . 2.3 m-80 66.93 94.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.481 ' CE ' ' HA3' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -50.23 -178.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.436 ' N ' ' HB2' ' C' ' 28' ' ' LYS . . . -120.1 -145.26 7.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.51 -84.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -106.02 145.8 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tt -148.27 120.47 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.09 128.04 8.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.17 113.12 15.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mtm -128.45 118.36 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.69 96.36 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.64 103.25 2.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.39 106.99 1.97 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.467 HG13 ' CG2' ' C' ' 39' ' ' VAL . 0.2 OUTLIER -113.24 127.57 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 94.1 t -123.74 135.56 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 tt -142.53 130.52 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.482 ' CB ' ' HG ' ' B' ' 17' ' ' LEU . 2.0 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 54.7 t -103.15 93.52 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.13 92.42 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.03 133.08 44.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.51 100.58 3.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -114.82 125.15 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -120.64 99.02 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.71 91.5 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.13 136.7 12.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -88.68 129.05 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.944 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' B' ' 26' ' ' SER . 6.3 m-80 53.59 89.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.436 ' HB2' ' N ' ' B' ' 29' ' ' GLY . 9.3 mmtt -43.69 167.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.68 -175.99 38.43 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' D' ' 30' ' ' ALA . . . -48.18 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.73 107.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.498 ' CD1' ' C ' ' C' ' 32' ' ' ILE . 0.0 OUTLIER -112.17 111.43 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.24 134.16 11.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 tt -130.39 99.59 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mtp -113.29 118.79 35.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 70.3 t -107.85 115.78 49.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.09 97.68 1.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.44 96.06 1.45 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.467 ' CG2' HG13 ' B' ' 39' ' ' VAL . 81.6 t -105.85 123.36 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.78 109.19 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.461 ' CG2' HG12 ' D' ' 41' ' ' ILE . 0.4 OUTLIER -116.26 114.04 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 t -124.37 92.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -97.97 90.19 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.73 108.01 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.32 92.4 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -105.03 114.84 29.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 0.7 OUTLIER -126.97 125.22 41.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.475 HG11 ' CB ' ' E' ' 24' ' ' VAL . 0.2 OUTLIER -113.99 140.78 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.51 146.96 18.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -119.64 95.8 4.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.034 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' D' ' 26' ' ' SER . 0.3 OUTLIER 77.78 84.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -78.33 154.03 31.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' D' ' 30' ' ' ALA . . . -153.66 -167.84 16.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.516 ' CB ' ' N ' ' E' ' 30' ' ' ALA . . . 36.44 -143.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mt -105.68 137.55 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -136.81 103.23 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.13 135.18 12.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.29 102.9 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.738 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.33 108.58 16.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.549 ' CG2' ' CG1' ' E' ' 36' ' ' VAL . 38.9 t -106.07 111.44 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.6 155.56 20.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.23 76.78 0.23 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 71.0 t -92.41 110.21 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.8 t -118.43 112.82 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.461 HG12 ' CG2' ' C' ' 41' ' ' ILE . 26.8 mt -109.96 112.99 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -101.62 122.66 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.66 119.27 28.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.87 115.98 20.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.88 93.49 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.35 99.01 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -123.18 143.36 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.475 ' CB ' HG11 ' D' ' 24' ' ' VAL . 0.7 OUTLIER -131.69 121.34 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.66 133.45 11.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.3 103.46 15.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.46 86.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 94.4 mttt -84.18 136.64 33.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.72 -163.7 10.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.516 ' N ' ' CB ' ' D' ' 30' ' ' ALA . . . 51.06 -155.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.01 94.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -105.36 125.06 60.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.83 118.81 4.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tt -98.93 97.73 8.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.2 tpp -99.94 119.05 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.549 ' CG1' ' CG2' ' D' ' 36' ' ' VAL . 2.8 p -133.93 77.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.35 108.64 3.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.42 123.09 6.0 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 80.4 t -120.1 122.51 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.11 114.21 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -113.32 137.5 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -102.3 110.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.98 132.34 55.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -136.45 134.68 37.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.79 116.32 10.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.45 141.49 46.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 11.4 t0 -139.78 114.86 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 25' ' ' GLY . 6.9 t -80.99 116.84 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.51 84.11 0.36 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 25.6 m -82.08 87.81 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 26' ' ' SER . 8.8 t30 78.82 45.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.65 177.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . 178.62 171.56 42.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 29' ' ' GLY . . . 83.54 -158.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.4 ' CG2' ' HA ' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -95.86 129.16 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -139.78 100.9 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.97 136.75 16.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.5 95.54 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.41 120.33 41.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.54 125.54 74.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.89 113.07 1.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.4 125.54 8.6 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' B' ' 40' ' ' VAL . 61.2 t -131.09 86.71 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.777 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.4 t -111.87 109.29 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mt -116.02 113.55 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -137.24 102.63 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -106.3 105.59 15.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.27 125.88 54.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.35 97.87 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -107.59 144.84 34.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 28.1 t0 -140.97 113.82 8.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.93 102.54 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' VAL . . . -103.32 110.59 3.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.418 ' O ' ' N ' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -105.62 110.64 23.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.975 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 t30 53.82 52.02 13.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.448 ' NZ ' ' OD1' ' A' ' 23' ' ' ASP . 13.4 ptmt -81.69 158.22 24.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.411 ' O ' ' HA2' ' C' ' 29' ' ' GLY . . . -175.91 101.61 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.528 ' HB3' ' N ' ' C' ' 30' ' ' ALA . . . 177.72 -179.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.475 ' CG2' HG12 ' C' ' 31' ' ' ILE . 1.9 tt -87.53 96.52 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -107.05 144.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.92 107.18 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.436 ' CD2' HD13 ' C' ' 34' ' ' LEU . 1.7 mt -98.78 124.78 43.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.9 mtm -134.65 96.63 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.61 116.28 43.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.85 112.73 2.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.09 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.03 96.01 1.24 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' C' ' 39' ' ' VAL . 55.2 t -97.4 134.51 35.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' VAL . 89.7 t -150.25 105.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 mt -115.54 92.43 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t -106.74 93.44 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -97.01 114.13 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.497 ' CG ' ' CZ ' ' D' ' 20' ' ' PHE . 0.5 OUTLIER -121.81 142.37 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.96 124.37 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -131.29 124.13 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.434 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 1.5 t70 -120.27 119.95 34.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 75.3 t -100.68 118.73 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.77 119.24 4.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.419 ' O ' ' N ' ' D' ' 27' ' ' ASN . 0.3 OUTLIER -104.1 92.39 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.973 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' B' ' 26' ' ' SER . 1.6 t30 73.91 69.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' B' ' 23' ' ' ASP . 12.1 mtpt -75.3 158.64 32.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' B' ' 29' ' ' GLY . . . -164.96 -178.46 38.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.546 ' CB ' ' N ' ' D' ' 30' ' ' ALA . . . 68.4 -124.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.475 HG12 ' CG2' ' B' ' 31' ' ' ILE . 8.2 mt -123.69 147.12 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -139.44 136.28 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' D' ' 32' ' ' ILE . . . -116.63 97.73 0.77 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.436 HD13 ' CD2' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -98.32 91.6 5.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 7.0 mtp -110.25 111.66 23.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 10.7 p -125.78 130.89 72.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.356 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.14 152.48 24.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.14 110.78 0.47 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.483 ' CG2' HG13 ' B' ' 39' ' ' VAL . 0.9 OUTLIER -114.74 123.37 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 84.5 t -121.42 110.47 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 38.7 mt -107.3 113.34 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 43.3 t -144.59 93.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.469 ' CE1' ' CG2' ' E' ' 36' ' ' VAL . 3.1 t80 -104.85 100.46 10.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.497 ' CZ ' ' CG ' ' C' ' 20' ' ' PHE . 0.6 OUTLIER -109.92 110.23 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.73 100.52 10.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -106.17 128.42 53.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 13.4 t0 -137.25 124.51 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.37 116.68 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.01 120.21 4.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -101.81 98.42 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.006 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' C' ' 26' ' ' SER . 0.9 OUTLIER 76.61 89.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.434 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 37.8 mttt -92.16 174.06 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.82 -164.62 32.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.546 ' N ' ' CB ' ' C' ' 30' ' ' ALA . . . 56.97 -122.75 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.85 107.64 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' C' ' 33' ' ' GLY . 5.4 mm -91.01 128.53 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' E' ' 34' ' ' LEU . . . -112.58 98.32 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.59 103.2 12.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.99 96.69 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 p -115.79 105.09 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.93 151.4 18.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.569 1.168 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.78 98.57 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 p -109.1 130.25 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 79.2 t -137.54 125.61 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 47.5 mt -118.23 121.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 42.3 t -98.23 98.69 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -110.78 88.48 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.83 117.59 35.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.03 125.59 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -133.57 109.86 9.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.52 141.22 51.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -122.26 121.81 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.91 126.52 5.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.34 117.2 33.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 64.32 79.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.446 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 15.3 mtpt -87.42 167.82 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.5 -156.5 17.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.431 ' N ' ' CB ' ' D' ' 30' ' ' ALA . . . 57.19 -156.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.372 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.69 90.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 30.5 mt -77.07 136.94 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.87 70.66 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' D' ' 33' ' ' GLY . 0.7 OUTLIER -73.91 89.4 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.73 124.4 39.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.469 ' CG2' ' CE1' ' D' ' 19' ' ' PHE . 3.1 p -147.69 91.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.95 109.41 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.72 94.65 1.82 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 p -101.26 121.21 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -134.76 102.3 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mt -103.16 127.73 56.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.469 ' CG1' ' CG2' ' B' ' 18' ' ' VAL . 2.3 p -163.12 120.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.5 141.11 39.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.716 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 38.0 m-85 -132.76 96.57 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.68 130.38 55.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -149.26 148.97 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -120.56 93.39 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG1' HG22 ' B' ' 24' ' ' VAL . 63.2 t -79.96 68.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.71 134.55 12.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -113.26 102.1 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.041 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.51 76.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.91 -175.18 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.46 ' O ' ' CG2' ' A' ' 32' ' ' ILE . . . 164.57 -159.2 32.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.24 -168.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.451 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.2 tt -80.15 90.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 9.2 pt -108.95 132.78 56.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.77 125.94 8.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.84 73.4 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.9 ttm -93.31 129.47 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.56 110.54 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.54 113.32 4.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.15 90.1 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 38' ' ' GLY . 61.5 t -99.5 118.54 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.1 t -132.55 101.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 mt -96.19 111.94 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.469 ' CG2' ' CG1' ' A' ' 18' ' ' VAL . 58.9 t -103.57 145.87 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.84 103.38 5.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.716 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -102.58 129.41 49.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.04 90.83 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -107.76 118.65 37.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -112.07 102.36 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.479 HG22 ' CG1' ' A' ' 24' ' ' VAL . 12.8 p -106.02 128.75 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.421 ' HA3' ' CE ' ' C' ' 28' ' ' LYS . . . -145.63 138.37 7.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -93.65 93.4 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.8 t30 78.48 108.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.72 124.39 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.24 -135.65 3.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.79 -101.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.58 124.25 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.468 HG12 ' CG2' ' C' ' 32' ' ' ILE . 18.1 mt -122.04 150.56 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' C' ' 32' ' ' ILE . . . -139.13 79.11 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.06 119.78 30.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttp -130.06 110.12 11.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.58 119.06 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.96 128.35 8.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 39' ' ' VAL . . . -131.56 89.4 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -102.38 111.1 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.467 HG23 ' CG1' ' C' ' 40' ' ' VAL . 92.5 t -121.63 132.28 71.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 32.1 mt -129.65 119.09 47.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.433 ' CB ' ' HG ' ' B' ' 17' ' ' LEU . 3.1 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.96 113.33 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.79 99.76 9.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.434 ' CD2' ' CE1' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -95.24 132.12 40.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' B' ' 20' ' ' PHE . . . -130.91 92.74 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -106.37 132.17 52.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.421 ' CG ' ' NZ ' ' D' ' 28' ' ' LYS . 18.3 t0 -132.0 106.7 8.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.428 ' HA ' ' CG1' ' B' ' 24' ' ' VAL . 9.4 p -102.79 110.17 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.94 153.57 17.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.34 94.15 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 73.5 62.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.421 ' CE ' ' HA3' ' B' ' 25' ' ' GLY . 25.8 pttt -98.61 113.03 24.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.42 -145.45 6.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.43 ' HB2' ' N ' ' D' ' 30' ' ' ALA . . . 61.36 -139.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 37.7 mt -101.88 111.07 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.468 ' CG2' HG12 ' B' ' 32' ' ' ILE . 0.5 OUTLIER -125.86 134.31 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 141.47 12.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' D' ' 34' ' ' LEU . 0.2 OUTLIER -132.12 133.65 44.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.96 103.53 5.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 32.0 t -96.31 93.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.69 91.32 1.62 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.97 88.33 0.78 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 88.0 t -106.65 125.08 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.467 ' CG1' HG23 ' B' ' 40' ' ' VAL . 1.9 p -141.14 116.1 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 20.4 mt -112.32 144.65 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' D' ' 18' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' D' ' 17' ' ' LEU . 80.4 t -157.59 105.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.765 ' CE1' ' CE1' ' E' ' 19' ' ' PHE . 2.3 t80 -116.69 99.64 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.496 ' CG ' ' CZ ' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -97.95 104.44 16.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.08 110.77 23.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -121.69 130.96 53.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.437 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 66.7 t0 -132.69 129.3 38.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.417 ' CG2' HG13 ' C' ' 24' ' ' VAL . 6.0 p -119.77 123.12 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.97 127.12 5.66 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -96.08 98.9 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.79 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' D' ' 26' ' ' SER . 10.5 t-20 76.32 36.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' E' ' 27' ' ' ASN . 1.0 OUTLIER -76.08 95.54 3.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.8 -133.46 4.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.43 ' N ' ' HB2' ' C' ' 30' ' ' ALA . . . 52.52 -141.75 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.419 ' HB ' ' CD1' ' E' ' 31' ' ' ILE . 3.6 mp -98.92 91.51 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.44 139.81 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.27 122.6 2.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.466 ' HB2' ' CD2' ' E' ' 34' ' ' LEU . 0.4 OUTLIER -118.24 118.02 30.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 7.1 ttt -121.27 147.03 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.471 ' CG1' ' CG2' ' E' ' 36' ' ' VAL . 3.5 t -124.46 107.19 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.2 83.85 1.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.23 94.21 1.3 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' E' ' 40' ' ' VAL . 20.0 t -113.39 127.02 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.438 ' CG2' HG11 ' E' ' 40' ' ' VAL . 0.7 OUTLIER -144.91 100.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' E' ' 41' ' ' ILE . 1.8 pt -112.72 135.55 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 78.3 t -106.77 125.34 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.765 ' CE1' ' CE1' ' D' ' 19' ' ' PHE . 1.1 t80 -134.22 136.05 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.496 ' CZ ' ' CG ' ' D' ' 20' ' ' PHE . 0.8 OUTLIER -138.29 121.62 17.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.58 130.66 56.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.33 88.95 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.77 136.3 33.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.47 137.91 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.4 142.97 10.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.3 OUTLIER -104.6 115.63 30.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 0.781 . . . . 0.0 109.975 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.573 ' O ' ' C ' ' E' ' 28' ' ' LYS . 27.0 t30 87.32 -42.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' E' ' 27' ' ' ASN . 1.4 mtmt 26.57 60.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.83 -157.4 27.51 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 54.38 -140.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.747 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.419 ' CD1' ' HB ' ' D' ' 31' ' ' ILE . 4.1 mm -102.37 114.86 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.67 118.42 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.68 111.66 1.99 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' D' ' 34' ' ' LEU . 0.4 OUTLIER -109.42 136.17 49.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 14.9 ttt -144.24 134.6 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.053 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.471 ' CG2' ' CG1' ' D' ' 36' ' ' VAL . 12.6 m -103.11 144.96 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.79 124.69 7.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.27 68.01 0.5 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 39.6 t -86.5 138.03 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' E' ' 40' ' ' VAL . 2.5 t -146.65 82.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' D' ' 41' ' ' ILE . 2.8 mt -107.13 101.64 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 17' ' ' LEU . 53.9 t -157.97 122.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.68 122.43 38.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 22' ' ' GLU . 38.9 t80 -122.28 113.82 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.17 100.33 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -123.52 139.32 54.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 29.0 t0 -139.95 122.76 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 1.5 m -100.64 114.34 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' CA ' ' HD2' ' B' ' 28' ' ' LYS . . . -116.21 94.25 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 t -80.43 124.84 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.802 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t30 53.89 80.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -178.76 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 151.64 179.45 27.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.567 1.167 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 65.46 -165.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 109.205 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.511 HG21 ' CG1' ' B' ' 31' ' ' ILE . 7.5 tt -73.74 102.11 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.7 mm -94.44 142.36 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' B' ' 32' ' ' ILE . . . -139.27 71.59 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD11 ' CD2' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -98.01 86.56 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.4 mtt -90.19 103.58 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.5 t -106.15 124.87 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.34 124.5 3.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.44 126.1 6.51 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.2 t -132.25 93.82 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.475 HG22 ' CG1' ' B' ' 40' ' ' VAL . 75.2 t -114.7 125.48 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.585 1.178 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.3 mt -133.5 93.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.509 ' CB ' ' HB3' ' C' ' 17' ' ' LEU . 2.8 pp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 49.8 t -130.54 144.55 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -138.0 99.84 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -101.78 132.03 47.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.76 120.04 12.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.21 134.13 37.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -133.61 115.37 14.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.238 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' C' ' 25' ' ' GLY . 90.6 t -98.41 113.92 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.57 100.37 0.83 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.23 127.43 35.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 0.814 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 57.92 62.25 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.44 ' NZ ' ' OD1' ' A' ' 23' ' ' ASP . 19.5 mttt -64.76 159.11 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.38 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.91 -179.09 44.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.09 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.452 ' CB ' ' N ' ' C' ' 30' ' ' ALA . . . 58.43 -157.59 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.511 ' CG1' HG21 ' A' ' 31' ' ' ILE . 13.7 mt -74.8 115.37 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' GLY . 4.0 mm -115.61 88.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.43 102.13 2.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.582 1.176 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.427 ' CD2' HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -122.18 130.56 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 0.712 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.56 104.17 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 93.7 t -106.36 106.68 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.86 120.13 4.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.77 78.51 0.24 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.78 105.58 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.475 ' CG1' HG22 ' A' ' 40' ' ' VAL . 1.8 p -136.86 116.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mt -128.66 122.47 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.509 ' HB3' ' CB ' ' B' ' 17' ' ' LEU . 2.4 tt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -149.36 129.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.55 114.9 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -118.63 118.81 32.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.23 98.04 4.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.94 122.01 42.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.454 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 6.9 t0 -127.79 117.76 22.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 t -100.17 104.1 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 24' ' ' VAL . . . -107.46 115.83 4.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -102.02 128.88 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.784 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 59.89 70.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -75.12 152.49 38.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.31 -178.2 48.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.452 ' N ' ' CB ' ' B' ' 30' ' ' ALA . . . 63.23 -129.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mp -107.6 117.27 52.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 18.1 mm -114.18 105.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.41 110.17 2.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' D' ' 34' ' ' LEU . 0.3 OUTLIER -129.02 119.68 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -115.29 95.06 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 59.2 t -100.11 91.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.365 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.31 122.82 6.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.8 100.92 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' D' ' 38' ' ' GLY . 2.8 t -106.16 125.33 61.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.76 111.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.46 130.52 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t -137.3 109.22 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -112.93 126.26 55.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -134.04 113.0 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.62 94.67 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -109.31 107.89 18.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.082 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.429 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 31.4 t70 -121.25 120.39 35.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 t -107.59 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.88 124.11 8.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -116.63 126.14 52.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.729 . . . . 0.0 110.006 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' D' ' 26' ' ' SER . 21.1 t30 84.23 44.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 73.6 mttt -61.02 157.1 16.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.8 -170.87 43.76 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 61.95 -112.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 0.761 . . . . 0.0 109.258 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -128.17 122.41 58.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' D' ' 32' ' ' ILE . 1.2 mp -123.25 99.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.0 93.76 0.79 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.565 1.166 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.461 ' CD2' HD12 ' C' ' 34' ' ' LEU . 0.6 OUTLIER -110.04 108.25 18.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.12 97.74 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.88 104.76 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.12 155.15 17.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' C' ' 39' ' ' VAL . . . -151.97 95.13 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.95 119.97 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.84 119.98 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mt -119.26 128.06 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 92.5 t -138.89 108.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -114.87 128.49 56.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.19 104.78 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.99 122.12 45.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.83 114.59 17.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -140.41 122.94 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 m -127.9 121.68 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.102 . . . . 0.0 109.352 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.72 156.43 26.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.577 1.173 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.545 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.5 OUTLIER -128.82 71.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' E' ' 26' ' ' SER . 7.3 m-20 153.26 45.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 0.0 OUTLIER -73.1 148.11 44.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.385 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.6 -168.42 37.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.29 -147.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 0.732 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 mm -87.24 108.59 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.374 1.046 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.462 ' CG2' HG13 ' D' ' 32' ' ' ILE . 41.1 mm -110.55 77.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.13 103.99 2.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.76 141.63 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.8 150.67 42.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' E' ' 36' ' ' VAL . 0.2 OUTLIER -162.87 86.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.56 11.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.18 102.16 1.05 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 73.6 t -107.53 127.77 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.85 101.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -112.28 122.61 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' B' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.1 t -113.92 108.46 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.56 114.67 26.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CD1' ' CZ ' ' B' ' 20' ' ' PHE . 2.0 t80 -134.14 143.31 47.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.71 123.11 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -137.45 143.39 41.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -146.18 122.84 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.584 ' CG1' ' CG2' ' B' ' 24' ' ' VAL . 9.6 p -107.43 146.19 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.07 107.23 0.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 68.9 m -74.3 77.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.963 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 26' ' ' SER . 4.2 m120 84.39 99.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' CB ' ' HB2' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -130.17 -162.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 139.92 -139.54 9.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.32 -98.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.4 mt -134.12 102.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.433 ' CD1' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -125.85 128.4 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.75 112.51 1.97 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -100.39 128.3 46.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtt -143.03 118.02 10.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.99 129.32 75.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.57 83.42 0.35 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.97 120.87 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.8 t -136.42 125.63 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.9 t -131.16 137.45 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 tt -158.07 154.58 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.476 ' CD1' HD21 ' A' ' 17' ' ' LEU . 7.4 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' B' ' 17' ' ' LEU . 96.5 t -155.02 133.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -132.96 96.93 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.419 ' CZ ' ' CD1' ' A' ' 20' ' ' PHE . 1.2 t80 -118.83 134.46 55.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.04 105.59 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.47 129.81 55.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.454 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 35.1 t70 -126.56 97.75 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.598 ' CG1' ' CG2' ' C' ' 24' ' ' VAL . 12.4 p -96.07 119.32 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.24 134.03 8.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 15.1 m -100.51 100.56 11.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 0.736 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' B' ' 26' ' ' SER . 9.9 m-80 75.98 105.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.459 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 12.5 mttt -117.11 -164.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.6 -157.22 24.53 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.12 -95.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' C' ' 32' ' ' ILE . 83.2 mt -140.65 123.97 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.2 126.49 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.15 110.24 1.4 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tp -101.43 102.95 13.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mtm -120.63 120.58 36.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 23.4 m -117.55 133.74 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.18 100.1 0.76 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.32 89.12 0.54 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 75.5 t -111.21 106.39 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.0 t -112.59 113.37 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 15.1 tt -129.31 114.15 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.437 ' HB2' ' CB ' ' D' ' 17' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -94.18 100.52 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.3 121.95 45.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.6 130.9 28.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.04 109.55 10.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -116.79 123.94 48.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.448 ' OD2' ' NZ ' ' D' ' 28' ' ' LYS . 23.7 t70 -124.44 131.63 53.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.598 ' CG2' ' CG1' ' B' ' 24' ' ' VAL . 58.2 t -121.31 107.56 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.43 107.23 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.24 132.32 35.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 26' ' ' SER . 2.4 m120 59.98 55.04 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 9.8 mttt -67.27 153.75 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.23 -170.06 42.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.49 -147.07 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mp -78.19 113.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' B' ' 31' ' ' ILE . 11.8 mt -117.35 83.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.61 101.62 2.79 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tp -112.72 115.05 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 21.0 ttt -136.95 101.68 4.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.427 ' CG1' HG23 ' D' ' 36' ' ' VAL . 23.2 m -91.68 123.67 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.98 126.46 8.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.21 96.74 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -120.1 132.85 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 53.2 t -125.72 101.92 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 tt -117.65 108.12 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.437 ' CB ' ' HB2' ' C' ' 17' ' ' LEU . 3.8 mp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -132.65 129.4 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -131.31 99.27 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.19 133.03 53.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.59 106.82 8.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.3 137.1 52.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.427 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 27.0 t0 -141.57 108.58 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -103.88 105.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.67 131.58 9.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.445 ' O ' ' N ' ' E' ' 27' ' ' ASN . 0.4 OUTLIER -102.12 131.16 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.045 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 65.24 71.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.448 ' NZ ' ' OD2' ' C' ' 23' ' ' ASP . 16.4 mttt -88.98 131.51 35.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.423 ' N ' HD13 ' D' ' 32' ' ' ILE . . . -163.21 -155.21 8.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 54.37 -101.22 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 34.7 mt -130.86 114.62 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.423 HD13 ' N ' ' D' ' 29' ' ' GLY . 2.7 mp -111.56 99.41 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 115.04 4.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tp -130.0 112.13 13.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.43 121.43 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.427 HG23 ' CG1' ' C' ' 36' ' ' VAL . 2.4 t -95.77 121.91 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . -107.38 82.54 0.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.3 76.13 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 73.8 t -108.67 140.31 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 66.4 t -135.31 109.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 tt -117.84 122.0 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.78 123.83 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -124.33 122.51 37.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -134.24 117.79 16.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.77 106.38 12.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.33 101.82 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.66 130.68 53.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 42.6 t -131.61 108.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.69 142.31 13.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.67 135.79 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' D' ' 26' ' ' SER . 0.8 OUTLIER 66.58 79.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.427 ' NZ ' ' OD1' ' D' ' 23' ' ' ASP . 5.5 mttt -102.29 52.93 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.11 60.68 0.7 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.01 -145.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.54 98.43 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -93.44 122.27 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.96 72.57 0.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' E' ' 34' ' ' LEU . 0.1 OUTLIER -92.17 117.17 29.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.746 . . . . 0.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.7 mtm -127.14 120.39 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 95.7 t -87.81 102.46 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.0 75.73 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' D' ' 37' ' ' GLY . . . -108.05 70.27 0.21 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -112.62 126.08 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -123.27 113.15 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 tt -118.62 124.31 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.434 HD23 ' CB ' ' B' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.1 t -101.46 128.43 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -134.62 90.46 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 0.1 OUTLIER -82.07 130.84 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.78 82.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.27 127.65 56.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 30.5 t70 -112.01 90.86 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.3 t -76.23 104.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.05 98.33 0.6 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.2 m -78.34 95.41 5.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 0.778 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.3 t30 74.46 123.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' CB ' ' HB2' ' B' ' 28' ' ' LYS . 5.5 pttp -168.39 -163.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 28' ' ' LYS . . . 158.86 -133.73 3.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.65 -149.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.268 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 mt -82.41 118.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.573 ' CD1' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -126.91 119.64 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' N ' HD11 ' A' ' 32' ' ' ILE . . . -105.78 114.98 4.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -111.94 126.19 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.41 ' N ' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -148.9 97.9 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.514 ' CG1' ' CG2' ' B' ' 36' ' ' VAL . 21.4 t -106.58 122.09 60.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.02 96.1 0.47 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.22 125.61 8.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.12 96.33 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.345 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 7.7 m -115.06 103.21 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.6 mt -100.19 119.85 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.439 ' CD2' HG12 ' C' ' 40' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -85.96 122.83 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -130.99 92.6 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.483 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -95.33 121.85 37.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.86 106.11 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -127.21 143.81 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 62.5 t0 -131.76 107.06 8.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 90.8 t -93.46 94.69 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.24 111.98 3.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 67.4 m -89.75 94.99 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' B' ' 26' ' ' SER . 7.9 t30 82.9 95.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 10.6 mttt -108.91 -174.21 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.96 -165.9 31.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.42 ' HB1' ' N ' ' C' ' 30' ' ' ALA . . . 61.26 -143.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.51 95.03 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.555 ' C ' ' CD1' ' B' ' 32' ' ' ILE . 0.0 OUTLIER -107.19 121.36 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.436 ' N ' HD11 ' B' ' 32' ' ' ILE . . . -108.02 129.65 9.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -130.22 109.2 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.0 mtp -137.0 134.45 36.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.514 ' CG2' ' CG1' ' A' ' 36' ' ' VAL . 7.5 m -131.77 146.95 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.26 113.19 0.79 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.28 83.87 0.35 Allowed Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.61 74.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.42 0.718 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.19 137.26 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' C' ' 40' ' ' VAL . 3.5 mp -128.11 138.09 55.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.472 HG13 ' CG2' ' D' ' 18' ' ' VAL . 5.0 t -130.79 80.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.39 122.23 33.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.16 122.12 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.37 109.87 12.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -125.3 112.42 16.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.412 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 31.1 t70 -103.12 99.6 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' D' ' 23' ' ' ASP . 61.6 t -92.48 92.77 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.32 132.61 10.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' D' ' 27' ' ' ASN . 19.2 m -109.29 116.74 32.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' B' ' 26' ' ' SER . 6.6 t-20 73.47 51.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.441 ' CE ' ' HD3' ' B' ' 28' ' ' LYS . 15.5 ttpt -76.24 167.52 21.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.42 -152.04 22.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.42 ' N ' ' HB1' ' B' ' 30' ' ' ALA . . . 63.69 -127.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mt -117.28 113.16 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.51 ' CG2' ' HA ' ' B' ' 32' ' ' ILE . 4.0 tt -124.41 139.74 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.78 83.13 0.35 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.085 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' C' ' 34' ' ' LEU . 0.2 OUTLIER -82.46 102.69 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtt -127.23 118.01 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' B' ' 36' ' ' VAL . 28.5 m -118.11 121.7 67.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.19 117.36 3.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.3 98.95 0.8 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 66.9 t -105.2 129.77 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 41' ' ' ILE . 9.6 t -135.36 133.88 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mm -133.22 92.13 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.472 ' CG2' HG13 ' C' ' 18' ' ' VAL . 0.9 OUTLIER -147.27 118.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -113.55 132.98 55.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.3 118.68 25.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.79 84.53 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -101.83 121.45 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' C' ' 24' ' ' VAL . 28.0 t70 -119.81 122.03 40.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' E' ' 24' ' ' VAL . 4.3 t -115.36 82.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.53 121.07 6.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 73.4 m -96.4 115.65 27.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 0.768 . . . . 0.0 110.005 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' D' ' 26' ' ' SER . 1.9 t-20 78.58 72.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.412 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 20.2 mtpt -89.61 151.84 21.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.0 -160.51 26.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.17 -107.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 59.3 mt -130.05 117.38 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.492 ' CG2' HG13 ' C' ' 32' ' ' ILE . 3.7 mt -112.87 139.64 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' E' ' 34' ' ' LEU . . . -135.23 111.78 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.75 79.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mtp -105.11 96.26 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 17.9 m -101.4 119.5 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.53 133.35 11.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.82 92.39 0.23 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -103.72 131.64 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.11 97.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.459 ' CG1' HG12 ' E' ' 41' ' ' ILE . 6.4 mm -97.98 116.57 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.405 ' CG2' HG12 ' D' ' 18' ' ' VAL . 83.1 t -107.72 108.55 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -99.66 86.48 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.48 125.49 34.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.63 80.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.01 115.57 27.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.56 141.25 52.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.469 ' CG2' HG11 ' D' ' 24' ' ' VAL . 1.9 p -148.0 108.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.38 155.16 25.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.81 151.43 23.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' D' ' 26' ' ' SER . 2.1 m-80 53.6 87.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.421 ' CD ' HD12 ' E' ' 32' ' ' ILE . 0.1 OUTLIER -110.65 108.81 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.06 -149.48 7.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.428 1.08 . . . . 0.0 110.995 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.83 -149.52 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 tt -103.29 93.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.421 HD12 ' CD ' ' E' ' 28' ' ' LYS . 40.6 mt -74.29 93.52 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.95 71.47 2.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' D' ' 33' ' ' GLY . 0.2 OUTLIER -91.72 103.7 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.3 ptm -147.11 146.74 30.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 m -127.76 145.62 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.75 91.99 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.59 67.88 0.93 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -89.32 96.85 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -106.37 123.78 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . 0.459 HG12 ' CG1' ' D' ' 41' ' ' ILE . 15.0 mt -132.75 130.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.5 t -145.59 119.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -120.9 125.98 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.635 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 1.4 m-85 -126.28 76.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.27 95.61 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.1 148.06 43.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 26.8 t0 -137.64 93.57 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.9 t -79.37 84.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.11 126.75 8.87 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 p -109.86 101.97 10.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 0.727 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.83 114.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 3.8 pttt -168.64 -175.68 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.9 -127.07 2.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.48 -101.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.5 mt -130.06 106.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.43 117.6 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.45 95.11 0.95 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.09 114.35 28.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttm -125.23 114.71 19.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 p -121.32 123.36 69.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.89 131.31 9.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.6 112.91 2.76 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.71 102.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.4 t -121.64 102.64 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.2 mt -102.21 83.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.5 t -129.96 118.34 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -121.99 93.34 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.635 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -95.7 136.59 35.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.11 84.22 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.408 ' OE2' ' CG2' ' B' ' 24' ' ' VAL . 11.0 tt0 -106.84 122.54 46.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.11 107.83 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.367 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.408 ' CG2' ' OE2' ' B' ' 22' ' ' GLU . 54.3 t -94.94 98.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.09 111.89 2.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 40.5 m -95.09 100.36 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.8 t30 76.99 55.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -104.08 -178.34 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.08 -130.42 4.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.95 -101.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mt -134.16 101.12 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.487 HG13 ' CG2' ' C' ' 32' ' ' ILE . 4.1 tt -116.81 147.27 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.27 86.43 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mp -92.92 133.13 36.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.5 ttt -144.72 100.8 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 p -112.23 138.07 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.23 133.08 6.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.446 1.091 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.91 92.56 0.56 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 t -94.26 135.34 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 86.7 t -148.03 127.91 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 57.4 mt -130.11 121.2 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' D' ' 17' ' ' LEU . 20.8 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.474 ' CG2' HG12 ' D' ' 18' ' ' VAL . 7.3 t -82.17 80.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.59 88.87 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.26 118.06 35.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.54 113.69 20.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -133.2 137.83 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.429 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 63.3 t0 -132.51 107.84 8.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.33 98.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.57 122.75 6.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.47 99.81 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.7 73.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.46 110.22 17.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.96 -144.18 6.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.415 ' HB1' ' N ' ' D' ' 30' ' ' ALA . . . 55.4 -137.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.69 116.71 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.487 ' CG2' HG13 ' B' ' 32' ' ' ILE . 0.8 OUTLIER -132.35 127.48 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.14 146.38 18.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.473 ' CD2' ' C ' ' C' ' 34' ' ' LEU . 3.7 tt -153.11 119.44 5.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.6 141.39 48.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 t -136.04 95.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.3 107.5 2.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.34 104.42 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -117.55 135.06 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.39 118.28 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.362 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 8.6 mt -113.84 131.18 66.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.472 ' CA ' ' O ' ' E' ' 17' ' ' LEU . 1.5 mm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.474 HG12 ' CG2' ' C' ' 18' ' ' VAL . 2.2 m -138.74 113.24 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -116.44 109.82 17.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.444 ' CG ' ' CZ ' ' E' ' 20' ' ' PHE . 0.3 OUTLIER -106.0 123.47 48.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.14 105.89 8.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.78 126.9 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.44 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 40.9 t0 -123.66 120.93 34.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 74.3 t -109.89 102.24 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.29 120.54 5.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.94 99.58 11.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 71.46 86.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 8.8 pttt -128.24 113.42 15.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.89 -141.66 4.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.415 ' N ' ' HB1' ' C' ' 30' ' ' ALA . . . 58.09 -100.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 78.1 mt -138.19 110.71 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.566 ' C ' ' CD1' ' D' ' 32' ' ' ILE . 0.0 OUTLIER -137.19 113.93 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.425 ' N ' HD12 ' D' ' 32' ' ' ILE . . . -121.44 130.63 8.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.448 ' CD1' HG22 ' D' ' 36' ' ' VAL . 0.7 OUTLIER -123.71 132.45 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.265 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.08 132.95 56.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' D' ' 34' ' ' LEU . 55.9 t -128.05 96.58 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.12 124.63 8.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.5 103.13 0.49 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 p -116.88 131.87 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 76.1 t -134.0 135.51 54.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 mt -129.66 121.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' D' ' 17' ' ' LEU . 7.1 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.405 HG13 ' O ' ' E' ' 17' ' ' LEU . 3.2 m -141.29 137.48 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -157.73 118.43 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.444 ' CZ ' ' CG ' ' D' ' 20' ' ' PHE . 1.3 m-85 -118.77 127.73 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.87 110.71 12.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -116.67 100.83 8.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -97.49 126.66 42.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -126.57 98.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.73 133.03 10.44 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -104.74 113.83 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 65.38 77.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.44 ' NZ ' ' OD1' ' D' ' 23' ' ' ASP . 21.0 pttt -119.46 98.08 5.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.11 -134.48 6.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 50.7 -145.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mt -102.14 98.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.427 ' CD1' ' C ' ' E' ' 32' ' ' ILE . 0.0 OUTLIER -122.23 130.51 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.54 127.41 4.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.87 124.63 43.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.7 tpp -106.47 131.24 53.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -125.69 95.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.68 137.73 13.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.45 1.094 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.5 99.39 0.24 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.61 134.32 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 69.3 t -138.53 131.84 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 7.0 mt -124.45 124.28 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -105.31 155.48 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.74 112.4 14.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CD2' ' CZ ' ' B' ' 20' ' ' PHE . 1.6 m-85 -108.45 77.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.35 128.67 52.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.96 152.29 24.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -132.03 102.47 5.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.06 124.22 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.84 106.29 1.01 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 27' ' ' ASN . 4.4 p -98.47 99.38 10.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t30 63.24 163.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 60.35 113.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.11 -50.31 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB3' ' N ' ' B' ' 30' ' ' ALA . . . 42.61 -146.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.53 106.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.879 HG12 HG23 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -129.72 142.56 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.553 ' N ' HD13 ' A' ' 32' ' ' ILE . . . -127.27 107.75 0.91 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.551 HD22 HD13 ' B' ' 34' ' ' LEU . 0.1 OUTLIER -102.17 92.25 4.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.297 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtt -105.51 118.34 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -125.6 140.89 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.65 114.9 1.89 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.43 114.66 4.33 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.723 ' HB ' HG13 ' B' ' 39' ' ' VAL . 12.7 t -126.33 91.81 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.4 t -100.79 102.86 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -116.53 113.75 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.778 ' HG ' HD13 ' C' ' 17' ' ' LEU . 1.2 mp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.928 HG22 HG13 ' C' ' 18' ' ' VAL . 3.6 m -140.09 151.61 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.33 102.05 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.482 ' CZ ' ' CD2' ' A' ' 20' ' ' PHE . 1.9 m-85 -103.55 125.03 49.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.33 82.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.425 ' CG ' ' HG3' ' C' ' 22' ' ' GLU . 14.1 pt-20 -106.01 142.13 36.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.439 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 19.5 t0 -128.43 100.79 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -80.91 82.11 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.91 107.1 3.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' C' ' 27' ' ' ASN . 28.8 t -100.22 111.07 23.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' SER . 14.5 m-80 62.91 69.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -73.15 -95.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.55 176.2 48.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.465 ' N ' ' HB3' ' A' ' 30' ' ' ALA . . . 64.86 -144.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.85 116.89 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.879 HG23 HG12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -137.52 110.3 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.594 ' N ' HD13 ' B' ' 32' ' ' ILE . . . -99.68 145.06 17.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.551 HD13 HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -137.28 126.31 24.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -140.4 106.38 5.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.535 HG23 ' CG1' ' C' ' 36' ' ' VAL . 0.3 OUTLIER -117.75 125.21 73.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.19 111.95 3.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.45 93.06 0.8 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.723 HG13 ' HB ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -109.99 138.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 52.8 t -143.23 88.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.8 mt -97.39 120.55 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.933 HD23 HD13 ' D' ' 17' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.928 HG13 HG22 ' B' ' 18' ' ' VAL . 2.9 t -84.61 140.21 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.484 ' HA ' ' CB ' ' D' ' 19' ' ' PHE . 39.5 t80 -147.47 89.79 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.46 137.96 31.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.2 100.79 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' CG ' ' B' ' 22' ' ' GLU . 2.9 tt0 -117.12 132.68 56.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -123.38 106.08 10.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 38.2 t -95.31 102.52 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.01 112.79 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.09 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 0.5 OUTLIER -95.69 93.66 7.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' C' ' 26' ' ' SER . 8.0 t-20 80.03 67.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.439 ' NZ ' ' OD1' ' B' ' 23' ' ' ASP . 16.5 mtmt -64.81 -101.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.92 -171.84 53.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.575 1.172 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.435 ' CB ' ' N ' ' D' ' 30' ' ' ALA . . . 58.05 -142.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mt -106.24 114.06 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.732 HD11 HD12 ' C' ' 34' ' ' LEU . 0.1 OUTLIER -128.4 123.22 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.465 ' N ' HD12 ' C' ' 32' ' ' ILE . . . -112.32 124.53 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.732 HD12 HD11 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -116.49 113.58 23.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.05 100.37 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.535 ' CG1' HG23 ' B' ' 36' ' ' VAL . 2.1 t -100.03 107.04 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -100.97 102.14 2.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.35 93.66 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.893 ' CG2' HG13 ' D' ' 39' ' ' VAL . 1.0 OUTLIER -127.46 127.37 68.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.1 t -118.48 104.93 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 mt -105.69 109.88 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.933 HD13 HD23 ' C' ' 17' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -121.74 94.33 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.484 ' CB ' ' HA ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -83.32 135.08 34.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.41 ' CB ' ' HA ' ' E' ' 20' ' ' PHE . 0.7 OUTLIER -139.95 102.81 4.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.17 95.04 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' GLU . . . . . 0.401 ' CG ' ' OE1' ' C' ' 22' ' ' GLU . 4.0 tt0 -108.11 119.54 39.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.451 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 31.9 t70 -116.48 116.73 28.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 37.8 t -110.46 90.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.95 116.31 4.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -92.21 95.69 9.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.963 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' D' ' 26' ' ' SER . 0.4 OUTLIER 78.39 76.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.412 ' CD ' ' HG2' ' C' ' 28' ' ' LYS . 27.8 mttt -67.25 -92.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.96 -161.26 50.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . 44.62 -144.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.12 111.31 34.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 tt -128.54 113.45 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.17 108.67 3.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.66 112.78 24.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.19 123.77 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.97 107.2 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.68 112.36 4.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 38' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' C' ' 37' ' ' GLY . . . -136.08 74.23 0.42 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.893 HG13 ' CG2' ' C' ' 39' ' ' VAL . 17.4 t -112.15 143.61 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -138.69 134.5 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -135.4 108.95 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -97.55 127.78 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.69 84.11 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.41 ' HA ' ' CB ' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -93.87 126.74 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.03 116.7 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -124.47 85.4 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -84.44 122.46 29.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -120.19 109.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.44 135.91 8.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.69 110.35 22.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.23 78.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.451 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 51.1 mttt -72.19 -81.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.402 ' C ' ' HB3' ' D' ' 30' ' ' ALA . . . 61.31 -154.26 38.0 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.493 1.12 . . . . 0.0 110.963 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.596 ' C ' HD13 ' E' ' 31' ' ' ILE . . . 47.17 -148.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.767 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.596 HD13 ' C ' ' E' ' 30' ' ' ALA . 1.4 mm -107.73 111.83 37.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.552 HD13 ' N ' ' E' ' 33' ' ' GLY . 0.0 OUTLIER -133.37 149.4 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.552 ' N ' HD13 ' E' ' 32' ' ' ILE . . . -146.74 123.51 1.8 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.52 133.24 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.34 121.81 19.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.34 100.98 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.59 88.98 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.29 68.73 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 92.9 t -113.37 129.37 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 48.6 t -122.92 114.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mm -113.5 97.12 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' B' ' 17' ' ' LEU . 21.1 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -149.41 121.01 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.34 109.24 10.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -107.7 121.42 44.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.14 77.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.17 133.09 34.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -130.23 82.56 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.72 115.65 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.15 94.16 0.35 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 1.1 t -80.59 89.73 5.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.3 t30 81.13 102.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 174.9 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.58 50.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' B' ' 30' ' ' ALA . . . -153.06 -171.94 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.9 mt -74.38 143.48 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.904 HD12 HG21 ' B' ' 32' ' ' ILE . 1.6 tt -141.19 111.32 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.13 112.08 3.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' B' ' 34' ' ' LEU . 0.7 OUTLIER -101.11 115.04 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.407 ' O ' ' HA ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -137.61 93.15 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.899 ' HA ' HG22 ' B' ' 36' ' ' VAL . 16.6 t -98.03 86.61 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.62 137.22 15.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.91 139.68 6.3 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.96 HG22 HG13 ' B' ' 39' ' ' VAL . 4.4 m -137.97 124.13 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.124 HG22 ' CG1' ' B' ' 40' ' ' VAL . 59.7 t -122.17 125.77 73.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.562 HG21 HD12 ' B' ' 41' ' ' ILE . 0.1 OUTLIER -146.48 107.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.555 ' HB3' HD22 ' A' ' 17' ' ' LEU . 1.4 tt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 t -113.04 128.92 69.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -137.84 99.1 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.551 ' CD2' ' CE1' ' C' ' 20' ' ' PHE . 0.6 OUTLIER -98.71 124.96 43.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.22 108.49 5.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.86 148.46 52.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 36.8 t0 -137.54 111.23 8.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.5 t -95.93 98.78 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.63 111.3 3.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -94.6 104.87 16.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 0.771 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.3 t-20 82.28 51.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -50.34 171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.405 ' O ' ' HA2' ' C' ' 29' ' ' GLY . . . 161.38 41.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -140.18 172.79 12.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.442 HG22 ' O ' ' B' ' 31' ' ' ILE . 7.4 mt -78.04 88.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.904 HG21 HD12 ' A' ' 32' ' ' ILE . 2.7 tt -82.74 119.95 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.53 85.84 0.4 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -74.5 119.36 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 0.725 . . . . 0.0 109.262 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -146.14 120.65 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.899 HG22 ' HA ' ' A' ' 36' ' ' VAL . 3.0 m -127.4 151.34 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.76 100.75 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.39 81.35 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.96 HG13 HG22 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -98.99 137.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 1.124 ' CG1' HG22 ' A' ' 40' ' ' VAL . 2.4 p -155.5 110.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.562 HD12 HG21 ' A' ' 41' ' ' ILE . 4.1 tt -127.52 136.12 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' D' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.6 t -143.68 112.39 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.403 ' CE1' ' HB ' ' D' ' 36' ' ' VAL . 0.3 OUTLIER -124.84 139.41 53.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.551 ' CE1' ' CD2' ' B' ' 20' ' ' PHE . 0.3 OUTLIER -141.38 111.58 6.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.23 101.18 7.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -115.47 118.73 34.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.451 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 63.3 t0 -112.3 109.25 18.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.618 ' HB ' HG22 ' D' ' 24' ' ' VAL . 72.7 t -92.23 87.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.88 144.72 17.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -133.92 94.94 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' C' ' 26' ' ' SER . 21.1 t-20 84.2 90.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.446 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 88.1 mttt -97.35 132.78 42.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.675 ' O ' ' HB2' ' C' ' 30' ' ' ALA . . . -148.74 82.48 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' C' ' 29' ' ' GLY . . . 165.22 -109.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.414 ' O ' HG23 ' D' ' 32' ' ' ILE . 12.4 mt -138.77 148.26 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.633 ' C ' HD13 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -152.9 99.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.426 ' N ' HD13 ' C' ' 32' ' ' ILE . . . -89.96 125.81 8.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 99.26 7.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.03 122.07 39.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.694 HG12 HG22 ' D' ' 36' ' ' VAL . 11.6 m -129.8 116.05 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -93.89 122.79 7.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.4 81.12 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 1.114 ' CG2' HG13 ' D' ' 39' ' ' VAL . 1.3 m -113.46 129.77 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.32 115.25 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.886 HG23 HG13 ' D' ' 41' ' ' ILE . 6.0 tt -119.09 128.35 75.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.255 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.467 ' HB3' HD22 ' C' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.413 ' HB ' HG22 ' E' ' 18' ' ' VAL . 65.8 t -106.91 115.88 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' E' ' 36' ' ' VAL . 0.5 OUTLIER -124.36 116.92 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 111.049 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.0 119.72 35.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.66 117.78 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.17 139.47 53.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.452 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 53.9 t0 -139.19 129.34 25.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.621 ' HB ' HG22 ' E' ' 24' ' ' VAL . 65.5 t -117.81 106.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.75 98.91 0.94 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 2.8 t -86.39 111.56 20.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.066 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' D' ' 26' ' ' SER . 28.2 t30 76.64 43.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 22.9 mtpt -55.28 156.65 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.35 57.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 1.006 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -158.49 -157.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 62.8 mt -99.66 107.53 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.572 HD12 ' N ' ' D' ' 33' ' ' GLY . 0.1 OUTLIER -111.8 127.02 69.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.572 ' N ' HD12 ' D' ' 32' ' ' ILE . . . -119.99 100.69 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.93 95.47 10.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.22 121.5 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.765 HG12 ' CG2' ' E' ' 36' ' ' VAL . 21.0 m -126.43 103.06 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . -81.52 110.53 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 38' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' C' ' 37' ' ' GLY . . . -120.09 94.76 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 1.114 HG13 ' CG2' ' C' ' 39' ' ' VAL . 15.5 t -125.35 142.06 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 0.736 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.626 HG23 HG13 ' E' ' 40' ' ' VAL . 2.6 p -145.46 120.89 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.886 HG13 HG23 ' C' ' 41' ' ' ILE . 19.9 tt -122.84 135.73 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.413 HG22 ' HB ' ' D' ' 18' ' ' VAL . 18.8 t -116.84 113.12 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.6 149.97 41.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -154.23 90.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.31 139.92 30.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.45 94.07 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -99.62 133.32 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.621 HG22 ' HB ' ' D' ' 24' ' ' VAL . 76.3 t -131.17 103.19 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.2 153.22 16.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.3 OUTLIER -120.7 142.58 49.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' E' ' 26' ' ' SER . 1.0 OUTLIER 80.8 -52.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.452 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 66.5 mttt 39.81 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.779 ' HA2' ' HB2' ' D' ' 30' ' ' ALA . . . -130.72 35.51 2.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.095 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 1.006 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -130.87 -138.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 70.5 mt -123.71 128.41 74.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.552 HG23 ' HA ' ' D' ' 32' ' ' ILE . 4.0 tt -140.91 139.61 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.91 100.36 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.563 HD23 HG13 ' E' ' 36' ' ' VAL . 0.3 OUTLIER -74.5 79.93 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -95.47 100.51 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.765 ' CG2' HG12 ' D' ' 36' ' ' VAL . 28.5 m -107.28 127.03 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.84 120.45 5.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 38' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' D' ' 37' ' ' GLY . . . -133.87 68.43 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.521 HG13 ' HB ' ' D' ' 39' ' ' VAL . 45.7 t -116.28 125.91 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.626 HG13 HG23 ' D' ' 40' ' ' VAL . 9.7 p -121.55 129.0 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.724 HD12 HG21 ' D' ' 41' ' ' ILE . 1.5 tt -124.45 112.03 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.946 HG13 HG23 ' B' ' 18' ' ' VAL . 5.8 p -93.32 126.38 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.51 142.55 47.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CD2' ' CE2' ' B' ' 20' ' ' PHE . 0.4 OUTLIER -125.49 93.09 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.98 109.53 21.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -139.45 141.15 37.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 17.1 t0 -137.09 110.19 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.76 98.34 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.44 77.79 0.65 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' N ' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -75.71 104.43 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.0 t30 71.32 76.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -84.4 -169.73 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.234 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 148.37 172.24 18.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . 71.04 -152.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.337 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mt -84.35 130.85 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.552 HD12 HG21 ' B' ' 32' ' ' ILE . 2.3 tt -147.36 125.13 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.95 103.72 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.595 HD12 ' N ' ' A' ' 35' ' ' MET . 0.1 OUTLIER -102.27 147.52 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.595 ' N ' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -152.95 142.89 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.468 HG23 ' CG1' ' B' ' 36' ' ' VAL . 0.2 OUTLIER -145.01 115.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.73 114.91 4.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.71 118.01 3.95 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.73 134.96 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.646 HG23 HG13 ' B' ' 40' ' ' VAL . 4.2 p -138.5 136.14 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.493 HG23 ' HB ' ' B' ' 41' ' ' ILE . 0.8 OUTLIER -142.31 108.47 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.761 HD22 ' HB2' ' C' ' 17' ' ' LEU . 6.4 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.946 HG23 HG13 ' A' ' 18' ' ' VAL . 10.1 p -140.49 123.76 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.529 ' CZ ' ' HA3' ' D' ' 38' ' ' GLY . 0.3 OUTLIER -123.18 106.77 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.422 ' CE2' ' CD2' ' A' ' 20' ' ' PHE . 2.2 m-85 -93.71 140.78 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.38 96.5 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.436 ' HB2' ' CG ' ' C' ' 22' ' ' GLU . 11.2 mt-10 -120.07 139.62 52.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.444 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 4.9 t0 -137.96 121.07 16.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.756 ' CG2' HG12 ' C' ' 24' ' ' VAL . 2.3 t -92.6 105.79 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.83 86.01 0.47 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.1 OUTLIER -85.0 99.86 11.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' B' ' 26' ' ' SER . 0.9 OUTLIER 80.2 92.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 0.2 OUTLIER -105.69 158.45 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.4 -174.5 44.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.67 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . 63.11 -122.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mt -106.67 130.51 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.552 HG21 HD12 ' A' ' 32' ' ' ILE . 1.5 mp -127.93 135.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' C' ' 32' ' ' ILE . . . -148.65 122.81 1.55 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.732 HD12 ' N ' ' B' ' 35' ' ' MET . 0.1 OUTLIER -135.41 128.65 31.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.732 ' N ' HD12 ' B' ' 34' ' ' LEU . 3.0 mtp -129.89 135.02 47.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 36' ' ' VAL . 2.0 t -123.18 146.85 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.86 115.78 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.15 88.81 0.32 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -110.81 126.13 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.756 HG23 HG13 ' C' ' 40' ' ' VAL . 7.1 p -134.7 124.64 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.667 HG23 ' CG1' ' C' ' 41' ' ' ILE . 0.5 OUTLIER -131.47 113.15 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.578 ' HA ' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.761 ' HB2' HD22 ' B' ' 17' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 1.067 ' CG1' HG22 ' D' ' 18' ' ' VAL . 4.3 p -128.32 94.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.743 ' CE2' ' CD2' ' D' ' 19' ' ' PHE . 0.4 OUTLIER -93.99 138.08 32.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.06 113.22 14.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.53 91.81 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 0.436 ' CG ' ' HB2' ' B' ' 22' ' ' GLU . 2.5 mt-10 -115.78 123.69 48.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.447 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 18.4 t0 -132.14 106.42 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.756 HG12 ' CG2' ' B' ' 24' ' ' VAL . 18.0 m -90.47 118.17 35.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.69 118.41 4.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 21.9 t -102.36 106.14 16.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' C' ' 26' ' ' SER . 19.5 t30 82.83 70.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.444 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 24.9 mttt -83.88 161.32 20.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' C' ' 30' ' ' ALA . . . 169.46 -172.01 43.38 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.508 ' HB3' ' N ' ' D' ' 30' ' ' ALA . . . 67.82 -94.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.409 ' O ' ' O ' ' D' ' 30' ' ' ALA . 3.4 mp -138.72 119.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.549 ' N ' HD12 ' C' ' 32' ' ' ILE . 4.1 mp -115.95 104.63 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.39 115.85 3.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.417 HD23 ' HB2' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -128.82 128.86 44.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mtt -130.21 126.28 37.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.12 123.81 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.95 132.51 9.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.81 87.21 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -106.49 122.55 60.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 0.777 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.756 HG13 HG23 ' B' ' 40' ' ' VAL . 7.4 p -129.93 124.95 59.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.667 ' CG1' HG23 ' B' ' 41' ' ' ILE . 0.0 OUTLIER -122.18 124.03 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.512 HD23 HD11 ' C' ' 17' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 1.067 HG22 ' CG1' ' C' ' 18' ' ' VAL . 54.9 t -115.32 115.71 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.743 ' CD2' ' CE2' ' C' ' 19' ' ' PHE . 0.3 OUTLIER -109.17 87.68 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 111.04 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.601 ' CD2' ' CE1' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -91.65 106.13 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.72 102.24 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.81 138.49 52.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.424 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 37.1 t0 -146.36 142.9 28.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.751 HG22 ' HA ' ' E' ' 24' ' ' VAL . 10.1 m -127.5 144.55 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.31 105.69 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.5 OUTLIER -86.2 106.89 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.997 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' D' ' 26' ' ' SER . 4.5 t-20 82.68 63.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.447 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 43.1 mttt -72.34 178.6 3.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.581 ' O ' ' HB2' ' D' ' 30' ' ' ALA . . . 135.5 94.18 0.44 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 1.053 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . 171.25 -158.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.42 83.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.46 HD12 HG13 ' C' ' 32' ' ' ILE . 24.3 mt -83.43 122.45 37.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.37 88.18 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.716 ' C ' HD12 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -102.89 126.16 49.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.658 ' N ' HD12 ' D' ' 34' ' ' LEU . 8.2 ttt -134.38 124.87 26.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.28 119.24 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.71 89.92 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' CZ ' ' B' ' 19' ' ' PHE . . . -92.49 79.32 1.17 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -104.6 134.76 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.513 HG23 HG12 ' E' ' 40' ' ' VAL . 0.4 OUTLIER -148.71 109.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.661 HG23 HG22 ' C' ' 41' ' ' ILE . 14.5 mt -113.43 119.37 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' E' ' 17' ' ' LEU . 11.6 tp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 78.1 t -117.54 137.56 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.448 ' CE1' ' CE1' ' D' ' 19' ' ' PHE . 40.4 t80 -135.87 105.91 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' CD2' ' D' ' 20' ' ' PHE . 1.1 t80 -107.24 139.34 41.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' D' ' 20' ' ' PHE . . . -145.52 107.0 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -120.43 113.28 20.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.57 134.51 55.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.751 ' HA ' HG22 ' D' ' 24' ' ' VAL . 8.6 m -123.16 127.08 74.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.47 119.14 2.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.1 OUTLIER -98.42 115.11 27.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' E' ' 26' ' ' SER . 9.4 t-20 81.64 53.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.424 ' NZ ' ' OD1' ' D' ' 23' ' ' ASP . 41.5 mttt -65.01 143.42 57.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.47 -169.96 39.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 1.053 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . 59.5 -95.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mm -121.88 140.91 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.451 ' O ' HG22 ' E' ' 32' ' ' ILE . 75.3 mt -140.19 67.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.61 133.82 11.46 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 pp -148.62 111.31 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.6 mtt -111.07 113.79 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.09 120.56 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.26 124.84 8.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.85 70.84 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 83.2 t -92.1 135.63 26.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.753 ' O ' HG12 ' E' ' 40' ' ' VAL . 2.5 t -139.62 80.62 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 66.0 mt -99.33 92.1 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' B' ' 19' ' ' PHE . 79.0 t -106.77 102.19 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.25 124.55 48.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -133.68 134.59 43.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.04 121.14 12.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -133.26 131.85 40.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.443 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 16.5 t0 -116.46 98.04 6.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 t -82.84 104.63 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.482 ' HA3' ' CE ' ' B' ' 28' ' ' LYS . . . -114.69 100.53 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 23.4 m -74.34 73.19 1.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 72.11 -171.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HB3' ' N ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER 58.38 165.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.37 83.47 0.53 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' B' ' 30' ' ' ALA . . . -59.63 -66.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mt -121.69 110.66 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.617 ' HA ' HG23 ' B' ' 32' ' ' ILE . 7.1 tt -114.07 113.34 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.52 85.8 0.57 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.486 HD11 HD22 ' B' ' 34' ' ' LEU . 0.5 OUTLIER -86.46 131.07 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.6 mtp -145.31 135.06 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.86 112.97 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.89 133.97 11.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.48 144.07 14.34 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.528 HG13 ' HA ' ' B' ' 39' ' ' VAL . 2.8 p -154.88 131.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.8 t -130.99 134.84 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.401 HG23 HG13 ' B' ' 41' ' ' ILE . 4.5 tt -141.73 96.14 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.482 ' HG ' ' CB ' ' C' ' 17' ' ' LEU . 7.2 mp . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' C' ' 17' ' ' LEU . 54.6 t -81.53 125.92 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -127.37 93.37 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.19 108.94 20.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.36 103.04 10.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -116.04 133.4 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.579 ' CG ' ' HZ1' ' C' ' 28' ' ' LYS . 27.2 t0 -122.1 92.07 3.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.752 ' O ' HG12 ' B' ' 24' ' ' VAL . 2.9 t -79.5 77.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.68 110.12 3.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' C' ' 27' ' ' ASN . 6.4 t -85.27 106.14 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 109.951 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 26' ' ' SER . 2.3 m-80 66.93 94.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.501 ' HG2' HD13 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -50.23 -178.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.437 ' N ' ' HB2' ' C' ' 28' ' ' LYS . . . -120.1 -145.26 7.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -62.51 -84.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -106.02 145.8 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.617 HG23 ' HA ' ' A' ' 32' ' ' ILE . 7.1 tt -148.27 120.47 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.09 128.04 8.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.486 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -128.17 113.12 15.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mtm -128.45 118.36 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.69 96.36 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.64 103.25 2.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.39 106.99 1.97 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.901 ' CG1' HG22 ' C' ' 39' ' ' VAL . 0.2 OUTLIER -113.24 127.57 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 94.1 t -123.74 135.56 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' C' ' 41' ' ' ILE . 4.7 tt -142.53 130.52 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.482 ' CB ' ' HG ' ' B' ' 17' ' ' LEU . 2.0 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 54.7 t -103.15 93.52 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.13 92.42 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.03 133.08 44.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.51 100.58 3.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -114.82 125.15 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -120.64 99.02 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.586 HG13 ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -100.71 91.5 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.13 136.7 12.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -88.68 129.05 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.944 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' B' ' 26' ' ' SER . 6.3 m-80 53.59 89.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.579 ' HZ1' ' CG ' ' B' ' 23' ' ' ASP . 9.3 mmtt -43.69 167.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.68 -175.99 38.43 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' D' ' 30' ' ' ALA . . . -48.18 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.448 ' HB ' HG23 ' D' ' 31' ' ' ILE . 2.7 mp -113.73 107.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.636 HD13 ' N ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -112.17 111.43 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.636 ' N ' HD13 ' C' ' 32' ' ' ILE . . . -106.24 134.16 11.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 tt -130.39 99.59 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mtp -113.29 118.79 35.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 70.3 t -107.85 115.78 49.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.09 97.68 1.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.44 96.06 1.45 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.901 HG22 ' CG1' ' B' ' 39' ' ' VAL . 81.6 t -105.85 123.36 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.78 109.19 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.606 ' HA ' HG23 ' B' ' 41' ' ' ILE . 0.4 OUTLIER -116.26 114.04 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.548 ' HA ' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.475 HD13 HD22 ' E' ' 17' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.55 ' O ' HG12 ' D' ' 18' ' ' VAL . 2.9 t -124.37 92.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -97.97 90.19 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.73 108.01 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.547 ' HA ' ' HB3' ' E' ' 21' ' ' ALA . . . -110.32 92.4 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -105.03 114.84 29.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.97 125.22 41.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.586 ' HB ' HG13 ' C' ' 24' ' ' VAL . 0.2 OUTLIER -113.99 140.78 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.51 146.96 18.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -119.64 95.8 4.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.034 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' D' ' 26' ' ' SER . 0.3 OUTLIER 77.78 84.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -78.33 154.03 31.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' D' ' 30' ' ' ALA . . . -153.66 -167.84 16.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.799 ' O ' ' HB3' ' C' ' 30' ' ' ALA . . . 36.44 -143.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.448 HG23 ' HB ' ' C' ' 31' ' ' ILE . 3.1 mt -105.68 137.55 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.504 HG23 HG12 ' C' ' 32' ' ' ILE . 0.9 OUTLIER -136.81 103.23 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.13 135.18 12.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.29 102.9 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.738 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.33 108.58 16.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 1.061 HG22 ' CG1' ' E' ' 36' ' ' VAL . 38.9 t -106.07 111.44 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.6 155.56 20.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.23 76.78 0.23 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 71.0 t -92.41 110.21 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.623 HG22 ' CG1' ' E' ' 40' ' ' VAL . 47.8 t -118.43 112.82 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.481 ' CG1' HG23 ' C' ' 41' ' ' ILE . 26.8 mt -109.96 112.99 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.548 ' HB3' ' HA ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.475 HD22 HD13 ' D' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -101.62 122.66 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.66 119.27 28.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.87 115.98 20.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' D' ' 21' ' ' ALA . . . -115.88 93.49 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.35 99.01 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -123.18 143.36 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.524 HG12 ' CG1' ' D' ' 24' ' ' VAL . 0.7 OUTLIER -131.69 121.34 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.66 133.45 11.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.3 103.46 15.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.46 86.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.18 136.64 33.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.72 -163.7 10.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.516 ' N ' ' CB ' ' D' ' 30' ' ' ALA . . . 51.06 -155.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.01 94.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -105.36 125.06 60.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.83 118.81 4.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.416 HD23 ' C ' ' E' ' 34' ' ' LEU . 8.5 tt -98.93 97.73 8.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.2 tpp -99.94 119.05 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 1.061 ' CG1' HG22 ' D' ' 36' ' ' VAL . 2.8 p -133.93 77.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.35 108.64 3.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.42 123.09 6.0 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 80.4 t -120.1 122.51 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.623 ' CG1' HG22 ' D' ' 40' ' ' VAL . 0.1 OUTLIER -141.11 114.21 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -113.32 137.5 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 42' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -102.3 110.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.98 132.34 55.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -136.45 134.68 37.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.79 116.32 10.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.45 141.49 46.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 11.4 t0 -139.78 114.86 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 25' ' ' GLY . 6.9 t -80.99 116.84 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.51 84.11 0.36 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 25.6 m -82.08 87.81 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 26' ' ' SER . 8.8 t30 78.82 45.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.65 177.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.687 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 178.62 171.56 42.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 83.54 -158.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.485 HG23 ' HA ' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -95.86 129.16 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -139.78 100.9 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.97 136.75 16.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.5 95.54 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.41 120.33 41.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.791 HG23 ' CG1' ' B' ' 36' ' ' VAL . 9.8 p -119.54 125.54 74.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.89 113.07 1.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.4 125.54 8.6 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' B' ' 40' ' ' VAL . 61.2 t -131.09 86.71 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.777 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.4 t -111.87 109.29 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mt -116.02 113.55 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.974 HD11 HD23 ' C' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -137.24 102.63 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -106.3 105.59 15.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.27 125.88 54.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.35 97.87 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -107.59 144.84 34.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 28.1 t0 -140.97 113.82 8.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.93 102.54 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' VAL . . . -103.32 110.59 3.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.418 ' O ' ' N ' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -105.62 110.64 23.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.975 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 t30 53.82 52.02 13.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.448 ' NZ ' ' OD1' ' A' ' 23' ' ' ASP . 13.4 ptmt -81.69 158.22 24.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' B' ' 30' ' ' ALA . . . -175.91 101.61 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 1.057 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . 177.72 -179.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.485 ' HA ' HG23 ' A' ' 31' ' ' ILE . 1.9 tt -87.53 96.52 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.806 HD12 HG21 ' C' ' 32' ' ' ILE . 1.5 tt -107.05 144.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.92 107.18 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.646 ' CD2' HD12 ' C' ' 34' ' ' LEU . 1.7 mt -98.78 124.78 43.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.9 mtm -134.65 96.63 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.791 ' CG1' HG23 ' A' ' 36' ' ' VAL . 8.9 p -100.61 116.28 43.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.85 112.73 2.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.09 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.03 96.01 1.24 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.2 t -97.4 134.51 35.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' VAL . 89.7 t -150.25 105.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 mt -115.54 92.43 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.974 HD23 HD11 ' B' ' 17' ' ' LEU . 2.4 tp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t -106.74 93.44 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -97.01 114.13 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.497 ' CG ' ' CZ ' ' D' ' 20' ' ' PHE . 0.5 OUTLIER -121.81 142.37 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.96 124.37 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -131.29 124.13 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.434 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 1.5 t70 -120.27 119.95 34.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 75.3 t -100.68 118.73 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.77 119.24 4.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.419 ' O ' ' N ' ' D' ' 27' ' ' ASN . 0.3 OUTLIER -104.1 92.39 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.973 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' B' ' 26' ' ' SER . 1.6 t30 73.91 69.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' B' ' 23' ' ' ASP . 12.1 mtpt -75.3 158.64 32.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.679 ' HA2' ' HB2' ' B' ' 30' ' ' ALA . . . -164.96 -178.46 38.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 1.057 ' O ' ' HB1' ' B' ' 30' ' ' ALA . . . 68.4 -124.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.475 HG12 ' CG2' ' B' ' 31' ' ' ILE . 8.2 mt -123.69 147.12 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.806 HG21 HD12 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -139.44 136.28 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' D' ' 32' ' ' ILE . . . -116.63 97.73 0.77 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.646 HD12 ' CD2' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -98.32 91.6 5.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 7.0 mtp -110.25 111.66 23.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.752 HG13 ' HA ' ' B' ' 36' ' ' VAL . 10.7 p -125.78 130.89 72.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.14 152.48 24.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.14 110.78 0.47 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.585 HG13 HG23 ' D' ' 39' ' ' VAL . 0.9 OUTLIER -114.74 123.37 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 84.5 t -121.42 110.47 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 38.7 mt -107.3 113.34 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.736 HD22 HD13 ' C' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 43.3 t -144.59 93.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.469 ' CE1' ' CG2' ' E' ' 36' ' ' VAL . 3.1 t80 -104.85 100.46 10.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.497 ' CZ ' ' CG ' ' C' ' 20' ' ' PHE . 0.6 OUTLIER -109.92 110.23 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.73 100.52 10.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -106.17 128.42 53.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 13.4 t0 -137.25 124.51 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.37 116.68 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.01 120.21 4.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -101.81 98.42 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.006 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' C' ' 26' ' ' SER . 0.9 OUTLIER 76.61 89.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.434 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 37.8 mttt -92.16 174.06 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.449 ' HA2' ' HB3' ' C' ' 30' ' ' ALA . . . 179.82 -164.62 32.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.546 ' N ' ' CB ' ' C' ' 30' ' ' ALA . . . 56.97 -122.75 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.85 107.64 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.735 HD13 HD12 ' E' ' 32' ' ' ILE . 5.4 mm -91.01 128.53 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' E' ' 34' ' ' LEU . . . -112.58 98.32 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.582 HD21 HD13 ' E' ' 34' ' ' LEU . 0.2 OUTLIER -104.59 103.2 12.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.99 96.69 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.723 ' HA ' HG13 ' E' ' 36' ' ' VAL . 2.7 p -115.79 105.09 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.93 151.4 18.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.569 1.168 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.78 98.57 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.625 HG13 HG23 ' E' ' 39' ' ' VAL . 12.3 p -109.1 130.25 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.632 HG21 ' CD2' ' C' ' 17' ' ' LEU . 79.2 t -137.54 125.61 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 47.5 mt -118.23 121.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 42.3 t -98.23 98.69 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -110.78 88.48 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.83 117.59 35.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.03 125.59 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -133.57 109.86 9.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.52 141.22 51.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -122.26 121.81 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.91 126.52 5.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.34 117.2 33.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 64.32 79.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.457 ' HE2' HD13 ' E' ' 32' ' ' ILE . 15.3 mtpt -87.42 167.82 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.5 -156.5 17.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.431 ' N ' ' CB ' ' D' ' 30' ' ' ALA . . . 57.19 -156.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.372 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.69 90.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.735 HD12 HD13 ' D' ' 32' ' ' ILE . 30.5 mt -77.07 136.94 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.87 70.66 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.582 HD13 HD21 ' D' ' 34' ' ' LEU . 0.7 OUTLIER -73.91 89.4 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.73 124.4 39.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.723 HG13 ' HA ' ' D' ' 36' ' ' VAL . 3.1 p -147.69 91.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.95 109.41 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.72 94.65 1.82 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.625 HG23 HG13 ' D' ' 39' ' ' VAL . 9.2 p -101.26 121.21 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.574 ' HB ' HG22 ' D' ' 40' ' ' VAL . 41.2 t -134.76 102.3 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mt -103.16 127.73 56.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.026 ' CG1' HG22 ' B' ' 18' ' ' VAL . 2.3 p -163.12 120.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.5 141.11 39.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.716 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 38.0 m-85 -132.76 96.57 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.68 130.38 55.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -149.26 148.97 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -120.56 93.39 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.798 ' CG1' HG23 ' B' ' 24' ' ' VAL . 63.2 t -79.96 68.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.71 134.55 12.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -113.26 102.1 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.041 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.51 76.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -113.91 -175.18 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 164.57 -159.2 32.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . 69.24 -168.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 31' ' ' ILE . 1.2 tt -80.15 90.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 9.2 pt -108.95 132.78 56.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.77 125.94 8.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -126.84 73.4 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.9 ttm -93.31 129.47 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.56 110.54 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.54 113.32 4.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.15 90.1 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 38' ' ' GLY . 61.5 t -99.5 118.54 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.1 t -132.55 101.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 mt -96.19 111.94 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.552 HD11 HG21 ' D' ' 40' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 1.026 HG22 ' CG1' ' A' ' 18' ' ' VAL . 58.9 t -103.57 145.87 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.84 103.38 5.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.716 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -102.58 129.41 49.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.04 90.83 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -107.76 118.65 37.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -112.07 102.36 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.798 HG23 ' CG1' ' A' ' 24' ' ' VAL . 12.8 p -106.02 128.75 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.421 ' HA3' ' CE ' ' C' ' 28' ' ' LYS . . . -145.63 138.37 7.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -93.65 93.4 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.8 t30 78.48 108.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -146.72 124.39 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.24 -135.65 3.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.776 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . 62.79 -101.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.58 124.25 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.467 HG12 ' CG2' ' C' ' 32' ' ' ILE . 18.1 mt -122.04 150.56 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' C' ' 32' ' ' ILE . . . -139.13 79.11 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -90.06 119.78 30.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttp -130.06 110.12 11.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.58 119.06 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.96 128.35 8.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 39' ' ' VAL . . . -131.56 89.4 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -102.38 111.1 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 1.013 HG22 ' CG1' ' C' ' 40' ' ' VAL . 92.5 t -121.63 132.28 71.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.484 HD12 HG12 ' C' ' 41' ' ' ILE . 32.1 mt -129.65 119.09 47.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.75 ' HG ' HD13 ' D' ' 17' ' ' LEU . 3.1 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.809 HG22 ' HB ' ' B' ' 18' ' ' VAL . 21.8 t -133.96 113.33 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.79 99.76 9.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.434 ' CD2' ' CE1' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -95.24 132.12 40.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' B' ' 20' ' ' PHE . . . -130.91 92.74 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -106.37 132.17 52.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.421 ' CG ' ' NZ ' ' D' ' 28' ' ' LYS . 18.3 t0 -132.0 106.7 8.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.795 HG13 HG23 ' D' ' 24' ' ' VAL . 9.4 p -102.79 110.17 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.94 153.57 17.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.34 94.15 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 73.5 62.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 25.8 pttt -98.61 113.03 24.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.42 -145.45 6.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' N ' ' D' ' 30' ' ' ALA . . . 61.36 -139.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 37.7 mt -101.88 111.07 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.467 ' CG2' HG12 ' B' ' 32' ' ' ILE . 0.5 OUTLIER -125.86 134.31 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 141.47 12.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.542 HD12 ' HB3' ' D' ' 34' ' ' LEU . 0.2 OUTLIER -132.12 133.65 44.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.96 103.53 5.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 32.0 t -96.31 93.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.69 91.32 1.62 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.97 88.33 0.78 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 88.0 t -106.65 125.08 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 1.013 ' CG1' HG22 ' B' ' 40' ' ' VAL . 1.9 p -141.14 116.1 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.559 HD12 ' CG2' ' D' ' 41' ' ' ILE . 20.4 mt -112.32 144.65 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.75 HD13 ' HG ' ' C' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.518 HG23 ' O ' ' D' ' 17' ' ' LEU . 80.4 t -157.59 105.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.765 ' CE1' ' CE1' ' E' ' 19' ' ' PHE . 2.3 t80 -116.69 99.64 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.496 ' CG ' ' CZ ' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -97.95 104.44 16.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.455 ' HB2' ' HE1' ' D' ' 19' ' ' PHE . . . -106.08 110.77 23.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -121.69 130.96 53.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.43 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 66.7 t0 -132.69 129.3 38.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.795 HG23 HG13 ' C' ' 24' ' ' VAL . 6.0 p -119.77 123.12 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.97 127.12 5.66 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -96.08 98.9 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.79 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' D' ' 26' ' ' SER . 1.0 OUTLIER 76.32 36.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.421 ' NZ ' ' CG ' ' C' ' 23' ' ' ASP . 1.0 OUTLIER -76.08 95.54 3.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.8 -133.46 4.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.491 ' N ' ' HB3' ' C' ' 30' ' ' ALA . . . 52.52 -141.75 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.673 ' HB ' HD13 ' E' ' 31' ' ' ILE . 3.6 mp -98.92 91.51 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.423 HD13 ' C ' ' D' ' 32' ' ' ILE . 0.0 OUTLIER -113.44 139.81 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.27 122.6 2.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.782 HD12 ' N ' ' D' ' 35' ' ' MET . 0.4 OUTLIER -118.24 118.02 30.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.782 ' N ' HD12 ' D' ' 34' ' ' LEU . 7.1 ttt -121.27 147.03 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.922 HG13 ' CG2' ' E' ' 36' ' ' VAL . 3.5 t -124.46 107.19 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.2 83.85 1.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.23 94.21 1.3 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' E' ' 40' ' ' VAL . 20.0 t -113.39 127.02 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.578 HG23 ' CG1' ' E' ' 40' ' ' VAL . 0.7 OUTLIER -144.91 100.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.896 ' CG1' HG23 ' E' ' 41' ' ' ILE . 1.8 pt -112.72 135.55 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 78.3 t -106.77 125.34 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.765 ' CE1' ' CE1' ' D' ' 19' ' ' PHE . 1.1 t80 -134.22 136.05 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.496 ' CZ ' ' CG ' ' D' ' 20' ' ' PHE . 0.8 OUTLIER -138.29 121.62 17.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.514 ' HB2' ' CZ ' ' E' ' 19' ' ' PHE . . . -117.58 130.66 56.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.33 88.95 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.77 136.3 33.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.593 HG23 HG13 ' D' ' 24' ' ' VAL . 7.1 p -133.47 137.91 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.4 142.97 10.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.3 OUTLIER -104.6 115.63 30.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 0.781 . . . . 0.0 109.975 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.573 ' O ' ' C ' ' E' ' 28' ' ' LYS . 27.0 t30 87.32 -42.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' E' ' 27' ' ' ASN . 1.4 mtmt 26.57 60.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.83 -157.4 27.51 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 54.38 -140.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.747 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.673 HD13 ' HB ' ' D' ' 31' ' ' ILE . 4.1 mm -102.37 114.86 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.58 ' C ' HD13 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -137.67 118.42 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.68 111.66 1.99 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.769 HD21 ' HB2' ' D' ' 34' ' ' LEU . 0.4 OUTLIER -109.42 136.17 49.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' D' ' 35' ' ' MET . 14.9 ttt -144.24 134.6 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.922 ' CG2' HG13 ' D' ' 36' ' ' VAL . 12.6 m -103.11 144.96 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.79 124.69 7.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.27 68.01 0.5 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.463 HG12 HG13 ' E' ' 41' ' ' ILE . 39.6 t -86.5 138.03 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.705 ' O ' HG12 ' E' ' 40' ' ' VAL . 2.5 t -146.65 82.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.896 HG23 ' CG1' ' D' ' 41' ' ' ILE . 2.8 mt -107.13 101.64 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.606 ' HB2' HD11 ' B' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 17' ' ' LEU . 53.9 t -157.97 122.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.68 122.43 38.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 22' ' ' GLU . 38.9 t80 -122.28 113.82 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.17 100.33 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -123.52 139.32 54.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 29.0 t0 -139.95 122.76 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 1.5 m -100.64 114.34 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.4 ' CA ' ' HD2' ' B' ' 28' ' ' LYS . . . -116.21 94.25 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 t -80.43 124.84 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.802 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 53.89 80.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -178.76 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' O ' HD11 ' A' ' 32' ' ' ILE . . . 151.64 179.45 27.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.567 1.167 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 65.46 -165.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 109.205 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.843 HG23 ' HA ' ' B' ' 31' ' ' ILE . 7.5 tt -73.74 102.11 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.425 HD11 ' O ' ' A' ' 29' ' ' GLY . 29.7 mm -94.44 142.36 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' B' ' 32' ' ' ILE . . . -139.27 71.59 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.482 HD11 HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -98.01 86.56 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.4 mtt -90.19 103.58 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.5 t -106.15 124.87 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.34 124.5 3.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.44 126.1 6.51 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.2 t -132.25 93.82 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.969 HG22 ' CG1' ' B' ' 40' ' ' VAL . 75.2 t -114.7 125.48 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.585 1.178 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.3 mt -133.5 93.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 17' ' ' LEU . 2.8 pp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 49.8 t -130.54 144.55 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -138.0 99.84 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -101.78 132.03 47.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.76 120.04 12.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.21 134.13 37.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -133.61 115.37 14.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.238 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' C' ' 25' ' ' GLY . 90.6 t -98.41 113.92 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.57 100.37 0.83 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.23 127.43 35.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 0.814 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 57.92 62.25 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.44 ' NZ ' ' OD1' ' A' ' 23' ' ' ASP . 19.5 mttt -64.76 159.11 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.38 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.91 -179.09 44.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.09 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.452 ' CB ' ' N ' ' C' ' 30' ' ' ALA . . . 58.43 -157.59 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.843 ' HA ' HG23 ' A' ' 31' ' ' ILE . 13.7 mt -74.8 115.37 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' GLY . 4.0 mm -115.61 88.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.43 102.13 2.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.582 1.176 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.598 HD23 HG23 ' B' ' 36' ' ' VAL . 0.2 OUTLIER -122.18 130.56 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 0.712 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.56 104.17 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.598 HG23 HD23 ' B' ' 34' ' ' LEU . 93.7 t -106.36 106.68 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.86 120.13 4.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.77 78.51 0.24 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.78 105.58 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.969 ' CG1' HG22 ' A' ' 40' ' ' VAL . 1.8 p -136.86 116.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mt -128.66 122.47 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' B' ' 17' ' ' LEU . 2.4 tt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -149.36 129.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.55 114.9 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -118.63 118.81 32.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.23 98.04 4.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.94 122.01 42.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.42 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 6.9 t0 -127.79 117.76 22.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 t -100.17 104.1 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 24' ' ' VAL . . . -107.46 115.83 4.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -102.02 128.88 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.784 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 59.89 70.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -75.12 152.49 38.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.648 ' O ' HD11 ' C' ' 32' ' ' ILE . . . 179.31 -178.2 48.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . 63.23 -129.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mp -107.6 117.27 52.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.648 HD11 ' O ' ' C' ' 29' ' ' GLY . 18.1 mm -114.18 105.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.41 110.17 2.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.7 HD11 HD23 ' D' ' 34' ' ' LEU . 0.3 OUTLIER -129.02 119.68 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -115.29 95.06 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.504 HG22 ' CG1' ' D' ' 36' ' ' VAL . 59.2 t -100.11 91.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.365 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.31 122.82 6.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.8 100.92 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.423 ' CG1' HG23 ' D' ' 39' ' ' VAL . 2.8 t -106.16 125.33 61.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' B' ' 40' ' ' VAL . 2.5 p -152.76 111.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.46 130.52 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.527 HD21 HG11 ' E' ' 40' ' ' VAL . 1.2 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t -137.3 109.22 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -112.93 126.26 55.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -134.04 113.0 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.62 94.67 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -109.31 107.89 18.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.082 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.429 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 31.4 t70 -121.25 120.39 35.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.834 HG23 HG12 ' E' ' 24' ' ' VAL . 1.9 t -107.59 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.88 124.11 8.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -116.63 126.14 52.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.729 . . . . 0.0 110.006 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' D' ' 26' ' ' SER . 21.1 t30 84.23 44.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.42 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 73.6 mttt -61.02 157.1 16.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.8 -170.87 43.76 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.57 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . 61.95 -112.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 0.761 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -128.17 122.41 58.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.638 HG22 ' O ' ' D' ' 32' ' ' ILE . 1.2 mp -123.25 99.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.0 93.76 0.79 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.565 1.166 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.7 HD23 HD11 ' C' ' 34' ' ' LEU . 0.6 OUTLIER -110.04 108.25 18.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.569 ' N ' HD12 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -102.12 97.74 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.504 ' CG1' HG22 ' C' ' 36' ' ' VAL . 0.2 OUTLIER -105.88 104.76 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.12 155.15 17.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' C' ' 39' ' ' VAL . . . -151.97 95.13 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.9 ' CG1' HG22 ' E' ' 39' ' ' VAL . 0.4 OUTLIER -108.95 119.97 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.555 ' HB ' HG13 ' E' ' 40' ' ' VAL . 0.2 OUTLIER -133.84 119.98 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.465 HD12 HG12 ' E' ' 41' ' ' ILE . 22.5 mt -119.26 128.06 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 92.5 t -138.89 108.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -114.87 128.49 56.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.19 104.78 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.99 122.12 45.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.83 114.59 17.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -140.41 122.94 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.834 HG12 HG23 ' D' ' 24' ' ' VAL . 2.2 m -127.9 121.68 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.102 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.72 156.43 26.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.577 1.173 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.545 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.5 OUTLIER -128.82 71.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' E' ' 26' ' ' SER . 7.3 m-20 153.26 45.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 0.0 OUTLIER -73.1 148.11 44.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.385 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.6 -168.42 37.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' D' ' 30' ' ' ALA . . . 62.29 -147.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 0.732 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 mm -87.24 108.59 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.374 1.046 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.462 ' CG2' HG13 ' D' ' 32' ' ' ILE . 41.1 mm -110.55 77.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.13 103.99 2.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.507 HD11 HD22 ' D' ' 34' ' ' LEU . 0.7 OUTLIER -121.76 141.63 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.8 150.67 42.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.644 ' O ' HG22 ' E' ' 36' ' ' VAL . 0.2 OUTLIER -162.87 86.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.56 11.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.18 102.16 1.05 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.9 HG22 ' CG1' ' D' ' 39' ' ' VAL . 73.6 t -107.53 127.77 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.555 HG13 ' HB ' ' D' ' 40' ' ' VAL . 0.2 OUTLIER -152.85 101.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.465 HG12 HD12 ' D' ' 41' ' ' ILE . 3.5 mp -112.28 122.61 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.55 HD22 HD13 ' B' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.1 t -113.92 108.46 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.56 114.67 26.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CD1' ' CZ ' ' B' ' 20' ' ' PHE . 2.0 t80 -134.14 143.31 47.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.71 123.11 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -137.45 143.39 41.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -146.18 122.84 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.079 ' CG1' HG23 ' B' ' 24' ' ' VAL . 9.6 p -107.43 146.19 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.07 107.23 0.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 68.9 m -74.3 77.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.963 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 26' ' ' SER . 4.2 m120 84.39 99.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' CB ' ' HB2' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -130.17 -162.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 139.92 -139.54 9.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.32 -98.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.4 mt -134.12 102.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.692 ' C ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -125.85 128.4 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.674 ' N ' HD13 ' A' ' 32' ' ' ILE . . . -122.75 112.51 1.97 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 35' ' ' MET . 2.0 tp -100.39 128.3 46.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.699 ' N ' HD12 ' A' ' 34' ' ' LEU . 8.8 mtt -143.03 118.02 10.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.609 HG13 HD11 ' A' ' 34' ' ' LEU . 29.3 m -118.99 129.32 75.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.57 83.42 0.35 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.97 120.87 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.8 t -136.42 125.63 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.9 t -131.16 137.45 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.533 HG23 HG13 ' B' ' 41' ' ' ILE . 11.5 tt -158.07 154.58 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.55 HD13 HD22 ' A' ' 17' ' ' LEU . 7.4 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.464 HG23 ' C ' ' B' ' 17' ' ' LEU . 96.5 t -155.02 133.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -132.96 96.93 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.419 ' CZ ' ' CD1' ' A' ' 20' ' ' PHE . 1.2 t80 -118.83 134.46 55.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.04 105.59 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.47 129.81 55.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.454 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 35.1 t70 -126.56 97.75 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 1.135 ' CG1' HG22 ' C' ' 24' ' ' VAL . 12.4 p -96.07 119.32 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.24 134.03 8.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 15.1 m -100.51 100.56 11.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 0.736 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' B' ' 26' ' ' SER . 9.9 m-80 75.98 105.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.459 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 12.5 mttt -117.11 -164.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.6 -157.22 24.53 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.12 -95.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' C' ' 32' ' ' ILE . 83.2 mt -140.65 123.97 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.2 126.49 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.15 110.24 1.4 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tp -101.43 102.95 13.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mtm -120.63 120.58 36.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.792 HG12 ' CG2' ' C' ' 36' ' ' VAL . 23.4 m -117.55 133.74 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.18 100.1 0.76 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.32 89.12 0.54 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 75.5 t -111.21 106.39 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.0 t -112.59 113.37 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.54 HG23 ' HA ' ' C' ' 41' ' ' ILE . 15.1 tt -129.31 114.15 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.733 HD13 HD22 ' D' ' 17' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.471 ' HB ' HG22 ' D' ' 18' ' ' VAL . 22.6 t -94.18 100.52 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.3 121.95 45.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.6 130.9 28.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.04 109.55 10.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -116.79 123.94 48.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.448 ' OD2' ' NZ ' ' D' ' 28' ' ' LYS . 23.7 t70 -124.44 131.63 53.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 1.135 HG22 ' CG1' ' B' ' 24' ' ' VAL . 58.2 t -121.31 107.56 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.43 107.23 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.24 132.32 35.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 26' ' ' SER . 2.4 m120 59.98 55.04 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 9.8 mttt -67.27 153.75 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.62 ' N ' HD11 ' C' ' 32' ' ' ILE . . . 176.23 -170.06 42.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . 58.49 -147.07 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mp -78.19 113.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.62 HD11 ' N ' ' C' ' 29' ' ' GLY . 11.8 mt -117.35 83.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.61 101.62 2.79 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.58 HD11 HG13 ' C' ' 36' ' ' VAL . 3.0 tp -112.72 115.05 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 21.0 ttt -136.95 101.68 4.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.792 ' CG2' HG12 ' B' ' 36' ' ' VAL . 23.2 m -91.68 123.67 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.98 126.46 8.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.21 96.74 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -120.1 132.85 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 53.2 t -125.72 101.92 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.575 HG23 ' HA ' ' D' ' 41' ' ' ILE . 3.9 tt -117.65 108.12 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.733 HD22 HD13 ' C' ' 17' ' ' LEU . 3.8 mp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.471 HG22 ' HB ' ' C' ' 18' ' ' VAL . 72.8 t -132.65 129.4 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.447 ' CE1' HG13 ' E' ' 36' ' ' VAL . 4.4 t80 -131.31 99.27 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.19 133.03 53.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.59 106.82 8.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.3 137.1 52.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.41 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 27.0 t0 -141.57 108.58 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -103.88 105.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.67 131.58 9.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.445 ' O ' ' N ' ' E' ' 27' ' ' ASN . 0.4 OUTLIER -102.12 131.16 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.045 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 65.24 71.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.448 ' NZ ' ' OD2' ' C' ' 23' ' ' ASP . 16.4 mttt -88.98 131.51 35.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.444 ' N ' HD11 ' D' ' 32' ' ' ILE . . . -163.21 -155.21 8.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.631 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . 54.37 -101.22 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 34.7 mt -130.86 114.62 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.55 HG13 HD12 ' E' ' 32' ' ' ILE . 2.7 mp -111.56 99.41 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 115.04 4.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.672 HD13 HD21 ' E' ' 34' ' ' LEU . 1.7 tp -130.0 112.13 13.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.43 121.43 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.758 HG21 HG12 ' C' ' 36' ' ' VAL . 2.4 t -95.77 121.91 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . -107.38 82.54 0.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.3 76.13 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 73.8 t -108.67 140.31 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 66.4 t -135.31 109.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.708 HG21 HD12 ' E' ' 41' ' ' ILE . 2.9 tt -117.84 122.0 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.78 123.83 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -124.33 122.51 37.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -134.24 117.79 16.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.77 106.38 12.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.33 101.82 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.66 130.68 53.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 42.6 t -131.61 108.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.69 142.31 13.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.67 135.79 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' D' ' 26' ' ' SER . 0.8 OUTLIER 66.58 79.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.599 ' O ' HD11 ' E' ' 32' ' ' ILE . 5.5 mttt -102.29 52.93 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.11 60.68 0.7 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.01 -145.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.54 98.43 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.599 HD11 ' O ' ' E' ' 28' ' ' LYS . 5.1 mt -93.44 122.27 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.96 72.57 0.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.718 ' C ' HD12 ' E' ' 34' ' ' LEU . 0.1 OUTLIER -92.17 117.17 29.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.746 . . . . 0.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.7 mtm -127.14 120.39 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.447 HG13 ' CE1' ' D' ' 19' ' ' PHE . 95.7 t -87.81 102.46 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.0 75.73 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' D' ' 37' ' ' GLY . . . -108.05 70.27 0.21 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -112.62 126.08 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -123.27 113.15 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.708 HD12 HG21 ' D' ' 41' ' ' ILE . 2.1 tt -118.62 124.31 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.1 t -101.46 128.43 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -134.62 90.46 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 0.1 OUTLIER -82.07 130.84 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.78 82.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.27 127.65 56.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.445 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 30.5 t70 -112.01 90.86 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.3 t -76.23 104.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.05 98.33 0.6 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.2 m -78.34 95.41 5.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 0.778 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.3 t30 74.46 123.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' CB ' ' HB2' ' B' ' 28' ' ' LYS . 5.5 pttp -168.39 -163.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 28' ' ' LYS . . . 158.86 -133.73 3.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.65 -149.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.268 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 mt -82.41 118.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.797 ' C ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -126.91 119.64 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.732 ' N ' HD13 ' A' ' 32' ' ' ILE . . . -105.78 114.98 4.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -111.94 126.19 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.9 97.9 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.014 HG13 ' CG2' ' B' ' 36' ' ' VAL . 21.4 t -106.58 122.09 60.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.02 96.1 0.47 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.22 125.61 8.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.12 96.33 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.345 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 40' ' ' VAL . 7.7 m -115.06 103.21 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.6 mt -100.19 119.85 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -85.96 122.83 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -130.99 92.6 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.483 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -95.33 121.85 37.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.86 106.11 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -127.21 143.81 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 62.5 t0 -131.76 107.06 8.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 90.8 t -93.46 94.69 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.24 111.98 3.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 67.4 m -89.75 94.99 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' B' ' 26' ' ' SER . 7.9 t30 82.9 95.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 10.6 mttt -108.91 -174.21 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.96 -165.9 31.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.461 ' HB3' ' N ' ' C' ' 30' ' ' ALA . . . 61.26 -143.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.51 95.03 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.795 ' C ' HD13 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -107.19 121.36 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.763 ' N ' HD13 ' B' ' 32' ' ' ILE . . . -108.02 129.65 9.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.853 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -130.22 109.2 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.401 ' N ' HD13 ' B' ' 34' ' ' LEU . 50.0 mtp -137.0 134.45 36.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 1.014 ' CG2' HG13 ' A' ' 36' ' ' VAL . 7.5 m -131.77 146.95 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.26 113.19 0.79 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.28 83.87 0.35 Allowed Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.61 74.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.42 0.718 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.688 ' C ' HD12 ' B' ' 41' ' ' ILE . 3.5 m -98.19 137.26 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.688 HD12 ' C ' ' B' ' 40' ' ' VAL . 3.5 mp -128.11 138.09 55.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.727 ' HA ' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' D' ' 17' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.659 ' O ' HG12 ' C' ' 18' ' ' VAL . 5.0 t -130.79 80.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.39 122.23 33.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.16 122.12 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.37 109.87 12.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -125.3 112.42 16.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.412 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 31.1 t70 -103.12 99.6 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' D' ' 23' ' ' ASP . 61.6 t -92.48 92.77 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.32 132.61 10.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' D' ' 27' ' ' ASN . 19.2 m -109.29 116.74 32.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' B' ' 26' ' ' SER . 6.6 t-20 73.47 51.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.441 ' CE ' ' HD3' ' B' ' 28' ' ' LYS . 15.5 ttpt -76.24 167.52 21.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.42 -152.04 22.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.529 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . 63.69 -127.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mt -117.28 113.16 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.632 HG13 HG22 ' D' ' 32' ' ' ILE . 4.0 tt -124.41 139.74 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.78 83.13 0.35 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.085 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' D' ' 34' ' ' LEU . 0.2 OUTLIER -82.46 102.69 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtt -127.23 118.01 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.839 HG12 HG22 ' D' ' 36' ' ' VAL . 28.5 m -118.11 121.7 67.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.19 117.36 3.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.3 98.95 0.8 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 66.9 t -105.2 129.77 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.656 HG23 HG12 ' B' ' 40' ' ' VAL . 9.6 t -135.36 133.88 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mm -133.22 92.13 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.727 ' HB3' ' HA ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.522 ' HB3' HD13 ' C' ' 17' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.807 ' CG1' HG22 ' E' ' 18' ' ' VAL . 0.9 OUTLIER -147.27 118.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -113.55 132.98 55.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.3 118.68 25.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.79 84.53 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -101.83 121.45 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' C' ' 24' ' ' VAL . 28.0 t70 -119.81 122.03 40.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.653 ' CG1' HG23 ' E' ' 24' ' ' VAL . 4.3 t -115.36 82.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.53 121.07 6.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 73.4 m -96.4 115.65 27.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 0.768 . . . . 0.0 110.005 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' D' ' 26' ' ' SER . 1.9 t-20 78.58 72.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.412 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 20.2 mtpt -89.61 151.84 21.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.0 -160.51 26.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.529 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . 63.17 -107.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 59.3 mt -130.05 117.38 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.632 HG22 HG13 ' C' ' 32' ' ' ILE . 3.7 mt -112.87 139.64 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' E' ' 34' ' ' LEU . . . -135.23 111.78 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' C' ' 34' ' ' LEU . 0.3 OUTLIER -117.75 79.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.431 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.3 mtp -105.11 96.26 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.839 HG22 HG12 ' C' ' 36' ' ' VAL . 17.9 m -101.4 119.5 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.53 133.35 11.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.82 92.39 0.23 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -103.72 131.64 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.11 97.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.617 ' HB ' HG23 ' E' ' 41' ' ' ILE . 6.4 mm -97.98 116.57 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.807 HG22 ' CG1' ' D' ' 18' ' ' VAL . 83.1 t -107.72 108.55 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -99.66 86.48 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.48 125.49 34.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.63 80.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.01 115.57 27.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.56 141.25 52.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.653 HG23 ' CG1' ' D' ' 24' ' ' VAL . 1.9 p -148.0 108.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.38 155.16 25.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.81 151.43 23.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' D' ' 26' ' ' SER . 2.1 m-80 53.6 87.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.411 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 0.1 OUTLIER -110.65 108.81 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.06 -149.48 7.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.428 1.08 . . . . 0.0 110.995 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.83 -149.52 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 tt -103.29 93.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -74.29 93.52 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.95 71.47 2.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' D' ' 33' ' ' GLY . 0.2 OUTLIER -91.72 103.7 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' D' ' 35' ' ' MET . 2.3 ptm -147.11 146.74 30.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' D' ' 36' ' ' VAL . 8.4 m -127.76 145.62 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.75 91.99 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.59 67.88 0.93 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -89.32 96.85 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -106.37 123.78 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.617 HG23 ' HB ' ' D' ' 41' ' ' ILE . 15.0 mt -132.75 130.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.5 t -145.59 119.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -120.9 125.98 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.635 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 1.4 m-85 -126.28 76.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HA ' ' HB3' ' B' ' 21' ' ' ALA . . . -86.27 95.61 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.1 148.06 43.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.509 ' CG ' ' HZ1' ' B' ' 28' ' ' LYS . 26.8 t0 -137.64 93.57 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.9 t -79.37 84.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.11 126.75 8.87 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 p -109.86 101.97 10.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 0.727 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.83 114.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 3.8 pttt -168.64 -175.68 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.9 -127.07 2.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.48 -101.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.5 mt -130.06 106.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.622 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.2 mt -125.43 117.6 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.45 95.11 0.95 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.09 114.35 28.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttm -125.23 114.71 19.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.414 HG23 HG13 ' B' ' 36' ' ' VAL . 4.2 p -121.32 123.36 69.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.89 131.31 9.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.6 112.91 2.76 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.71 102.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.4 t -121.64 102.64 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.2 mt -102.21 83.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.5 t -129.96 118.34 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -121.99 93.34 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.635 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -95.7 136.59 35.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -140.11 84.22 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.408 ' OE2' ' CG2' ' B' ' 24' ' ' VAL . 11.0 tt0 -106.84 122.54 46.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.11 107.83 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.367 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.408 ' CG2' ' OE2' ' B' ' 22' ' ' GLU . 54.3 t -94.94 98.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.09 111.89 2.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 40.5 m -95.09 100.36 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.8 t30 76.99 55.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -104.08 -178.34 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.08 -130.42 4.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.95 -101.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mt -134.16 101.12 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.831 HG13 HG23 ' C' ' 32' ' ' ILE . 4.1 tt -116.81 147.27 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.27 86.43 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mp -92.92 133.13 36.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.5 ttt -144.72 100.8 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.76 HG23 ' CG1' ' C' ' 36' ' ' VAL . 2.3 p -112.23 138.07 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.23 133.08 6.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.446 1.091 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.91 92.56 0.56 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.728 HG12 HG23 ' C' ' 39' ' ' VAL . 2.5 t -94.26 135.34 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 86.7 t -148.03 127.91 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 57.4 mt -130.11 121.2 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.692 HD23 HD12 ' D' ' 17' ' ' LEU . 20.8 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.538 HG23 HG12 ' D' ' 18' ' ' VAL . 7.3 t -82.17 80.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.59 88.87 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.26 118.06 35.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.54 113.69 20.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -133.2 137.83 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.429 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 63.3 t0 -132.51 107.84 8.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.33 98.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.57 122.75 6.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.47 99.81 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.7 73.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 0.4 OUTLIER -118.46 110.22 17.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.96 -144.18 6.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.429 ' HB3' ' N ' ' D' ' 30' ' ' ALA . . . 55.4 -137.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.69 116.71 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.831 HG23 HG13 ' B' ' 32' ' ' ILE . 0.8 OUTLIER -132.35 127.48 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.14 146.38 18.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.657 HD23 ' C ' ' C' ' 34' ' ' LEU . 3.7 tt -153.11 119.44 5.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.595 ' N ' HD23 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -116.6 141.39 48.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.76 ' CG1' HG23 ' B' ' 36' ' ' VAL . 19.4 t -136.04 95.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.3 107.5 2.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.34 104.42 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.728 HG23 HG12 ' B' ' 39' ' ' VAL . 0.9 OUTLIER -117.55 135.06 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.39 118.28 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.362 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 8.6 mt -113.84 131.18 66.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.739 HD22 ' HG ' ' E' ' 17' ' ' LEU . 1.5 mm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.538 HG12 HG23 ' C' ' 18' ' ' VAL . 2.2 m -138.74 113.24 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -116.44 109.82 17.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.444 ' CG ' ' CZ ' ' E' ' 20' ' ' PHE . 0.3 OUTLIER -106.0 123.47 48.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.14 105.89 8.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.78 126.9 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.44 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 40.9 t0 -123.66 120.93 34.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 74.3 t -109.89 102.24 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.29 120.54 5.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.94 99.58 11.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 71.46 86.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 8.8 pttt -128.24 113.42 15.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.89 -141.66 4.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.429 ' N ' ' HB3' ' C' ' 30' ' ' ALA . . . 58.09 -100.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 78.1 mt -138.19 110.71 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.755 HG12 HG23 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -137.19 113.93 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.702 ' N ' HD13 ' D' ' 32' ' ' ILE . . . -121.44 130.63 8.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.71 132.45 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.08 132.95 56.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -128.05 96.58 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.12 124.63 8.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.5 103.13 0.49 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.686 HG13 HG23 ' E' ' 39' ' ' VAL . 1.3 p -116.88 131.87 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.525 HG21 HD13 ' C' ' 17' ' ' LEU . 76.1 t -134.0 135.51 54.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 mt -129.66 121.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.739 ' HG ' HD22 ' D' ' 17' ' ' LEU . 7.1 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -141.29 137.48 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -157.73 118.43 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.444 ' CZ ' ' CG ' ' D' ' 20' ' ' PHE . 1.3 m-85 -118.77 127.73 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.87 110.71 12.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -116.67 100.83 8.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -97.49 126.66 42.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -126.57 98.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.73 133.03 10.44 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -104.74 113.83 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 65.38 77.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.44 ' NZ ' ' OD1' ' D' ' 23' ' ' ASP . 21.0 pttt -119.46 98.08 5.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.11 -134.48 6.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 50.7 -145.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mt -102.14 98.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.755 HG23 HG12 ' D' ' 32' ' ' ILE . 0.0 OUTLIER -122.23 130.51 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.41 ' N ' HD13 ' E' ' 32' ' ' ILE . . . -133.54 127.41 4.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.055 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.87 124.63 43.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.7 tpp -106.47 131.24 53.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -125.69 95.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.68 137.73 13.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.45 1.094 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.5 99.39 0.24 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.686 HG23 HG13 ' D' ' 39' ' ' VAL . 12.2 p -111.61 134.32 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 69.3 t -138.53 131.84 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 7.0 mt -124.45 124.28 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -105.31 155.48 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.74 112.4 14.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CD2' ' CZ ' ' B' ' 20' ' ' PHE . 1.6 m-85 -108.45 77.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.35 128.67 52.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.96 152.29 24.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -132.03 102.47 5.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.06 124.22 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.84 106.29 1.01 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 27' ' ' ASN . 4.4 p -98.47 99.38 10.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t30 63.24 163.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 60.35 113.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.11 -50.31 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB3' ' N ' ' B' ' 30' ' ' ALA . . . 42.61 -146.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.53 106.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.879 HG12 HG23 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -129.72 142.56 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.553 ' N ' HD13 ' A' ' 32' ' ' ILE . . . -127.27 107.75 0.91 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.551 HD22 HD13 ' B' ' 34' ' ' LEU . 0.1 OUTLIER -102.17 92.25 4.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.297 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtt -105.51 118.34 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -125.6 140.89 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.65 114.9 1.89 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.43 114.66 4.33 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.723 ' HB ' HG13 ' B' ' 39' ' ' VAL . 12.7 t -126.33 91.81 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.4 t -100.79 102.86 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -116.53 113.75 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.778 ' HG ' HD13 ' C' ' 17' ' ' LEU . 1.2 mp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.928 HG22 HG13 ' C' ' 18' ' ' VAL . 3.6 m -140.09 151.61 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.33 102.05 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.482 ' CZ ' ' CD2' ' A' ' 20' ' ' PHE . 1.9 m-85 -103.55 125.03 49.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.33 82.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.425 ' CG ' ' HG3' ' C' ' 22' ' ' GLU . 14.1 pt-20 -106.01 142.13 36.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.439 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 19.5 t0 -128.43 100.79 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -80.91 82.11 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.91 107.1 3.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' C' ' 27' ' ' ASN . 28.8 t -100.22 111.07 23.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' SER . 14.5 m-80 62.91 69.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -73.15 -95.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.55 176.2 48.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.465 ' N ' ' HB3' ' A' ' 30' ' ' ALA . . . 64.86 -144.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.85 116.89 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.879 HG23 HG12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -137.52 110.3 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.594 ' N ' HD13 ' B' ' 32' ' ' ILE . . . -99.68 145.06 17.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.551 HD13 HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -137.28 126.31 24.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -140.4 106.38 5.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.535 HG23 ' CG1' ' C' ' 36' ' ' VAL . 0.3 OUTLIER -117.75 125.21 73.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.19 111.95 3.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.45 93.06 0.8 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.723 HG13 ' HB ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -109.99 138.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 52.8 t -143.23 88.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.8 mt -97.39 120.55 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.933 HD23 HD13 ' D' ' 17' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.928 HG13 HG22 ' B' ' 18' ' ' VAL . 2.9 t -84.61 140.21 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.484 ' HA ' ' CB ' ' D' ' 19' ' ' PHE . 39.5 t80 -147.47 89.79 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.46 137.96 31.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.2 100.79 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' CG ' ' B' ' 22' ' ' GLU . 2.9 tt0 -117.12 132.68 56.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -123.38 106.08 10.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 38.2 t -95.31 102.52 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.01 112.79 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.09 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 0.5 OUTLIER -95.69 93.66 7.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' C' ' 26' ' ' SER . 8.0 t-20 80.03 67.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.439 ' NZ ' ' OD1' ' B' ' 23' ' ' ASP . 16.5 mtmt -64.81 -101.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.92 -171.84 53.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.575 1.172 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.435 ' CB ' ' N ' ' D' ' 30' ' ' ALA . . . 58.05 -142.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mt -106.24 114.06 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.732 HD11 HD12 ' C' ' 34' ' ' LEU . 0.1 OUTLIER -128.4 123.22 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.465 ' N ' HD12 ' C' ' 32' ' ' ILE . . . -112.32 124.53 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.732 HD12 HD11 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -116.49 113.58 23.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.05 100.37 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.535 ' CG1' HG23 ' B' ' 36' ' ' VAL . 2.1 t -100.03 107.04 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -100.97 102.14 2.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.35 93.66 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.893 ' CG2' HG13 ' D' ' 39' ' ' VAL . 1.0 OUTLIER -127.46 127.37 68.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.1 t -118.48 104.93 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 mt -105.69 109.88 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.933 HD13 HD23 ' C' ' 17' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -121.74 94.33 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.484 ' CB ' ' HA ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -83.32 135.08 34.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.41 ' CB ' ' HA ' ' E' ' 20' ' ' PHE . 0.7 OUTLIER -139.95 102.81 4.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.17 95.04 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLU . . . . . 0.401 ' CG ' ' OE1' ' C' ' 22' ' ' GLU . 4.0 tt0 -108.11 119.54 39.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.451 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 31.9 t70 -116.48 116.73 28.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 37.8 t -110.46 90.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.95 116.31 4.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -92.21 95.69 9.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.963 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' D' ' 26' ' ' SER . 0.4 OUTLIER 78.39 76.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.412 ' CD ' ' HG2' ' C' ' 28' ' ' LYS . 27.8 mttt -67.25 -92.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.96 -161.26 50.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . 44.62 -144.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.12 111.31 34.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 tt -128.54 113.45 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.17 108.67 3.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.66 112.78 24.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.19 123.77 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.97 107.2 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.68 112.36 4.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' C' ' 37' ' ' GLY . . . -136.08 74.23 0.42 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.893 HG13 ' CG2' ' C' ' 39' ' ' VAL . 17.4 t -112.15 143.61 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -138.69 134.5 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -135.4 108.95 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -97.55 127.78 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.69 84.11 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.41 ' HA ' ' CB ' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -93.87 126.74 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.03 116.7 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -124.47 85.4 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -84.44 122.46 29.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -120.19 109.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.44 135.91 8.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.69 110.35 22.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.23 78.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.451 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 51.1 mttt -72.19 -81.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.402 ' C ' ' HB3' ' D' ' 30' ' ' ALA . . . 61.31 -154.26 38.0 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.493 1.12 . . . . 0.0 110.963 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.596 ' C ' HD13 ' E' ' 31' ' ' ILE . . . 47.17 -148.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.767 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.596 HD13 ' C ' ' E' ' 30' ' ' ALA . 1.4 mm -107.73 111.83 37.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.552 HD13 ' N ' ' E' ' 33' ' ' GLY . 0.0 OUTLIER -133.37 149.4 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.552 ' N ' HD13 ' E' ' 32' ' ' ILE . . . -146.74 123.51 1.8 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.52 133.24 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.34 121.81 19.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.34 100.98 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.59 88.98 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.29 68.73 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 92.9 t -113.37 129.37 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 48.6 t -122.92 114.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mm -113.5 97.12 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' B' ' 17' ' ' LEU . 21.1 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -149.41 121.01 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.34 109.24 10.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -107.7 121.42 44.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.14 77.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.17 133.09 34.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -130.23 82.56 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.72 115.65 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.15 94.16 0.35 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 1.1 t -80.59 89.73 5.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.3 t30 81.13 102.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 174.9 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.58 50.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' B' ' 30' ' ' ALA . . . -153.06 -171.94 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.9 mt -74.38 143.48 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.904 HD12 HG21 ' B' ' 32' ' ' ILE . 1.6 tt -141.19 111.32 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.13 112.08 3.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' B' ' 34' ' ' LEU . 0.7 OUTLIER -101.11 115.04 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.407 ' O ' ' HA ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -137.61 93.15 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.899 ' HA ' HG22 ' B' ' 36' ' ' VAL . 16.6 t -98.03 86.61 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.62 137.22 15.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.91 139.68 6.3 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.96 HG22 HG13 ' B' ' 39' ' ' VAL . 4.4 m -137.97 124.13 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.124 HG22 ' CG1' ' B' ' 40' ' ' VAL . 59.7 t -122.17 125.77 73.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.562 HG21 HD12 ' B' ' 41' ' ' ILE . 0.1 OUTLIER -146.48 107.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.555 ' HB3' HD22 ' A' ' 17' ' ' LEU . 1.4 tt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 t -113.04 128.92 69.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -137.84 99.1 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.551 ' CD2' ' CE1' ' C' ' 20' ' ' PHE . 0.6 OUTLIER -98.71 124.96 43.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.22 108.49 5.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.86 148.46 52.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 36.8 t0 -137.54 111.23 8.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.5 t -95.93 98.78 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.63 111.3 3.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -94.6 104.87 16.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 0.771 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.3 t-20 82.28 51.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -50.34 171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.405 ' O ' ' HA2' ' C' ' 29' ' ' GLY . . . 161.38 41.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -140.18 172.79 12.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.442 HG22 ' O ' ' B' ' 31' ' ' ILE . 7.4 mt -78.04 88.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.904 HG21 HD12 ' A' ' 32' ' ' ILE . 2.7 tt -82.74 119.95 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.53 85.84 0.4 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -74.5 119.36 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 0.725 . . . . 0.0 109.262 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -146.14 120.65 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.899 HG22 ' HA ' ' A' ' 36' ' ' VAL . 3.0 m -127.4 151.34 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.76 100.75 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.39 81.35 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.96 HG13 HG22 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -98.99 137.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 1.124 ' CG1' HG22 ' A' ' 40' ' ' VAL . 2.4 p -155.5 110.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.562 HD12 HG21 ' A' ' 41' ' ' ILE . 4.1 tt -127.52 136.12 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' D' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.6 t -143.68 112.39 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.403 ' CE1' ' HB ' ' D' ' 36' ' ' VAL . 0.3 OUTLIER -124.84 139.41 53.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.551 ' CE1' ' CD2' ' B' ' 20' ' ' PHE . 0.3 OUTLIER -141.38 111.58 6.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.23 101.18 7.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -115.47 118.73 34.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.451 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 63.3 t0 -112.3 109.25 18.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.618 ' HB ' HG22 ' D' ' 24' ' ' VAL . 72.7 t -92.23 87.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.88 144.72 17.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -133.92 94.94 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' C' ' 26' ' ' SER . 21.1 t-20 84.2 90.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.446 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 88.1 mttt -97.35 132.78 42.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.675 ' O ' ' HB2' ' C' ' 30' ' ' ALA . . . -148.74 82.48 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' C' ' 29' ' ' GLY . . . 165.22 -109.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.414 ' O ' HG23 ' D' ' 32' ' ' ILE . 12.4 mt -138.77 148.26 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.633 ' C ' HD13 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -152.9 99.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.426 ' N ' HD13 ' C' ' 32' ' ' ILE . . . -89.96 125.81 8.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 99.26 7.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.03 122.07 39.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.694 HG12 HG22 ' D' ' 36' ' ' VAL . 11.6 m -129.8 116.05 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -93.89 122.79 7.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.4 81.12 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 1.114 ' CG2' HG13 ' D' ' 39' ' ' VAL . 1.3 m -113.46 129.77 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.32 115.25 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.886 HG23 HG13 ' D' ' 41' ' ' ILE . 6.0 tt -119.09 128.35 75.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.255 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.467 ' HB3' HD22 ' C' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.413 ' HB ' HG22 ' E' ' 18' ' ' VAL . 65.8 t -106.91 115.88 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' E' ' 36' ' ' VAL . 0.5 OUTLIER -124.36 116.92 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 111.049 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.0 119.72 35.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.66 117.78 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.17 139.47 53.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.452 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 53.9 t0 -139.19 129.34 25.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.621 ' HB ' HG22 ' E' ' 24' ' ' VAL . 65.5 t -117.81 106.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.75 98.91 0.94 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 2.8 t -86.39 111.56 20.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.066 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' D' ' 26' ' ' SER . 28.2 t30 76.64 43.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 22.9 mtpt -55.28 156.65 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.35 57.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 1.006 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -158.49 -157.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 62.8 mt -99.66 107.53 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.572 HD12 ' N ' ' D' ' 33' ' ' GLY . 0.1 OUTLIER -111.8 127.02 69.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.572 ' N ' HD12 ' D' ' 32' ' ' ILE . . . -119.99 100.69 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.93 95.47 10.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.22 121.5 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.765 HG12 ' CG2' ' E' ' 36' ' ' VAL . 21.0 m -126.43 103.06 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . -81.52 110.53 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' C' ' 37' ' ' GLY . . . -120.09 94.76 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 1.114 HG13 ' CG2' ' C' ' 39' ' ' VAL . 15.5 t -125.35 142.06 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 0.736 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.626 HG23 HG13 ' E' ' 40' ' ' VAL . 2.6 p -145.46 120.89 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.886 HG13 HG23 ' C' ' 41' ' ' ILE . 19.9 tt -122.84 135.73 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.413 HG22 ' HB ' ' D' ' 18' ' ' VAL . 18.8 t -116.84 113.12 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.6 149.97 41.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -154.23 90.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.31 139.92 30.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.45 94.07 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -99.62 133.32 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.621 HG22 ' HB ' ' D' ' 24' ' ' VAL . 76.3 t -131.17 103.19 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.2 153.22 16.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.3 OUTLIER -120.7 142.58 49.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' E' ' 26' ' ' SER . 1.0 OUTLIER 80.8 -52.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.452 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 66.5 mttt 39.81 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.779 ' HA2' ' HB2' ' D' ' 30' ' ' ALA . . . -130.72 35.51 2.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.095 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 1.006 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -130.87 -138.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 70.5 mt -123.71 128.41 74.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.552 HG23 ' HA ' ' D' ' 32' ' ' ILE . 4.0 tt -140.91 139.61 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.91 100.36 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.563 HD23 HG13 ' E' ' 36' ' ' VAL . 0.3 OUTLIER -74.5 79.93 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -95.47 100.51 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.765 ' CG2' HG12 ' D' ' 36' ' ' VAL . 28.5 m -107.28 127.03 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.84 120.45 5.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 38' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' D' ' 37' ' ' GLY . . . -133.87 68.43 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.521 HG13 ' HB ' ' D' ' 39' ' ' VAL . 45.7 t -116.28 125.91 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.626 HG13 HG23 ' D' ' 40' ' ' VAL . 9.7 p -121.55 129.0 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.724 HD12 HG21 ' D' ' 41' ' ' ILE . 1.5 tt -124.45 112.03 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.946 HG13 HG23 ' B' ' 18' ' ' VAL . 5.8 p -93.32 126.38 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.51 142.55 47.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CD2' ' CE2' ' B' ' 20' ' ' PHE . 0.4 OUTLIER -125.49 93.09 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.98 109.53 21.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -139.45 141.15 37.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 17.1 t0 -137.09 110.19 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.76 98.34 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.44 77.79 0.65 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' N ' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -75.71 104.43 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.0 t30 71.32 76.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -84.4 -169.73 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.234 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 148.37 172.24 18.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . 71.04 -152.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.337 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mt -84.35 130.85 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.552 HD12 HG21 ' B' ' 32' ' ' ILE . 2.3 tt -147.36 125.13 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.95 103.72 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.595 HD12 ' N ' ' A' ' 35' ' ' MET . 0.1 OUTLIER -102.27 147.52 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.595 ' N ' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -152.95 142.89 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.468 HG23 ' CG1' ' B' ' 36' ' ' VAL . 0.2 OUTLIER -145.01 115.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.73 114.91 4.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.71 118.01 3.95 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.73 134.96 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.646 HG23 HG13 ' B' ' 40' ' ' VAL . 4.2 p -138.5 136.14 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.493 HG23 ' HB ' ' B' ' 41' ' ' ILE . 0.8 OUTLIER -142.31 108.47 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.761 HD22 ' HB2' ' C' ' 17' ' ' LEU . 6.4 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.946 HG23 HG13 ' A' ' 18' ' ' VAL . 10.1 p -140.49 123.76 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.529 ' CZ ' ' HA3' ' D' ' 38' ' ' GLY . 0.3 OUTLIER -123.18 106.77 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.422 ' CE2' ' CD2' ' A' ' 20' ' ' PHE . 2.2 m-85 -93.71 140.78 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.38 96.5 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.436 ' HB2' ' CG ' ' C' ' 22' ' ' GLU . 11.2 mt-10 -120.07 139.62 52.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.444 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 4.9 t0 -137.96 121.07 16.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.756 ' CG2' HG12 ' C' ' 24' ' ' VAL . 2.3 t -92.6 105.79 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.83 86.01 0.47 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.1 OUTLIER -85.0 99.86 11.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' B' ' 26' ' ' SER . 0.9 OUTLIER 80.2 92.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 0.2 OUTLIER -105.69 158.45 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.4 -174.5 44.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.67 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . 63.11 -122.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mt -106.67 130.51 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.552 HG21 HD12 ' A' ' 32' ' ' ILE . 1.5 mp -127.93 135.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' C' ' 32' ' ' ILE . . . -148.65 122.81 1.55 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.732 HD12 ' N ' ' B' ' 35' ' ' MET . 0.1 OUTLIER -135.41 128.65 31.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.732 ' N ' HD12 ' B' ' 34' ' ' LEU . 3.0 mtp -129.89 135.02 47.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 36' ' ' VAL . 2.0 t -123.18 146.85 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.86 115.78 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.15 88.81 0.32 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -110.81 126.13 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.756 HG23 HG13 ' C' ' 40' ' ' VAL . 7.1 p -134.7 124.64 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.667 HG23 ' CG1' ' C' ' 41' ' ' ILE . 0.5 OUTLIER -131.47 113.15 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.578 ' HA ' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.761 ' HB2' HD22 ' B' ' 17' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 1.067 ' CG1' HG22 ' D' ' 18' ' ' VAL . 4.3 p -128.32 94.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.743 ' CE2' ' CD2' ' D' ' 19' ' ' PHE . 0.4 OUTLIER -93.99 138.08 32.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.06 113.22 14.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.53 91.81 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.436 ' CG ' ' HB2' ' B' ' 22' ' ' GLU . 2.5 mt-10 -115.78 123.69 48.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.447 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 18.4 t0 -132.14 106.42 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.756 HG12 ' CG2' ' B' ' 24' ' ' VAL . 18.0 m -90.47 118.17 35.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.69 118.41 4.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 21.9 t -102.36 106.14 16.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' C' ' 26' ' ' SER . 19.5 t30 82.83 70.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.444 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 24.9 mttt -83.88 161.32 20.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' C' ' 30' ' ' ALA . . . 169.46 -172.01 43.38 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.508 ' HB3' ' N ' ' D' ' 30' ' ' ALA . . . 67.82 -94.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.409 ' O ' ' O ' ' D' ' 30' ' ' ALA . 3.4 mp -138.72 119.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.549 ' N ' HD12 ' C' ' 32' ' ' ILE . 4.1 mp -115.95 104.63 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.39 115.85 3.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.417 HD23 ' HB2' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -128.82 128.86 44.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mtt -130.21 126.28 37.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.12 123.81 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.95 132.51 9.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.81 87.21 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -106.49 122.55 60.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 0.777 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.756 HG13 HG23 ' B' ' 40' ' ' VAL . 7.4 p -129.93 124.95 59.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.667 ' CG1' HG23 ' B' ' 41' ' ' ILE . 0.0 OUTLIER -122.18 124.03 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.512 HD23 HD11 ' C' ' 17' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 1.067 HG22 ' CG1' ' C' ' 18' ' ' VAL . 54.9 t -115.32 115.71 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.743 ' CD2' ' CE2' ' C' ' 19' ' ' PHE . 0.3 OUTLIER -109.17 87.68 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 111.04 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.601 ' CD2' ' CE1' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -91.65 106.13 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.72 102.24 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.81 138.49 52.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.424 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 37.1 t0 -146.36 142.9 28.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.751 HG22 ' HA ' ' E' ' 24' ' ' VAL . 10.1 m -127.5 144.55 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.31 105.69 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.5 OUTLIER -86.2 106.89 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.997 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' D' ' 26' ' ' SER . 4.5 t-20 82.68 63.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.447 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 43.1 mttt -72.34 178.6 3.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.581 ' O ' ' HB2' ' D' ' 30' ' ' ALA . . . 135.5 94.18 0.44 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 1.053 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . 171.25 -158.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.42 83.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.46 HD12 HG13 ' C' ' 32' ' ' ILE . 24.3 mt -83.43 122.45 37.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.37 88.18 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.716 ' C ' HD12 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -102.89 126.16 49.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.658 ' N ' HD12 ' D' ' 34' ' ' LEU . 8.2 ttt -134.38 124.87 26.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.28 119.24 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.71 89.92 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' CZ ' ' B' ' 19' ' ' PHE . . . -92.49 79.32 1.17 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -104.6 134.76 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.513 HG23 HG12 ' E' ' 40' ' ' VAL . 0.4 OUTLIER -148.71 109.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.661 HG23 HG22 ' C' ' 41' ' ' ILE . 14.5 mt -113.43 119.37 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' E' ' 17' ' ' LEU . 11.6 tp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 78.1 t -117.54 137.56 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.448 ' CE1' ' CE1' ' D' ' 19' ' ' PHE . 40.4 t80 -135.87 105.91 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' CD2' ' D' ' 20' ' ' PHE . 1.1 t80 -107.24 139.34 41.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' D' ' 20' ' ' PHE . . . -145.52 107.0 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -120.43 113.28 20.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.57 134.51 55.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.751 ' HA ' HG22 ' D' ' 24' ' ' VAL . 8.6 m -123.16 127.08 74.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.47 119.14 2.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.1 OUTLIER -98.42 115.11 27.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' E' ' 26' ' ' SER . 9.4 t-20 81.64 53.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.424 ' NZ ' ' OD1' ' D' ' 23' ' ' ASP . 41.5 mttt -65.01 143.42 57.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.47 -169.96 39.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 1.053 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . 59.5 -95.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mm -121.88 140.91 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.451 ' O ' HG22 ' E' ' 32' ' ' ILE . 75.3 mt -140.19 67.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.61 133.82 11.46 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 pp -148.62 111.31 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.6 mtt -111.07 113.79 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.09 120.56 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.26 124.84 8.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.85 70.84 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 83.2 t -92.1 135.63 26.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.753 ' O ' HG12 ' E' ' 40' ' ' VAL . 2.5 t -139.62 80.62 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 66.0 mt -99.33 92.1 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' B' ' 19' ' ' PHE . 79.0 t -106.77 102.19 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.25 124.55 48.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -133.68 134.59 43.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.04 121.14 12.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -133.26 131.85 40.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.443 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 16.5 t0 -116.46 98.04 6.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 t -82.84 104.63 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' HA3' ' CE ' ' B' ' 28' ' ' LYS . . . -114.69 100.53 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 23.4 m -74.34 73.19 1.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 72.11 -171.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HB3' ' N ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER 58.38 165.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.37 83.47 0.53 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' B' ' 30' ' ' ALA . . . -59.63 -66.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mt -121.69 110.66 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.617 ' HA ' HG23 ' B' ' 32' ' ' ILE . 7.1 tt -114.07 113.34 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.52 85.8 0.57 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.486 HD11 HD22 ' B' ' 34' ' ' LEU . 0.5 OUTLIER -86.46 131.07 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.6 mtp -145.31 135.06 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.86 112.97 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.89 133.97 11.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.48 144.07 14.34 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.528 HG13 ' HA ' ' B' ' 39' ' ' VAL . 2.8 p -154.88 131.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.8 t -130.99 134.84 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.401 HG23 HG13 ' B' ' 41' ' ' ILE . 4.5 tt -141.73 96.14 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.482 ' HG ' ' CB ' ' C' ' 17' ' ' LEU . 7.2 mp . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' C' ' 17' ' ' LEU . 54.6 t -81.53 125.92 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -127.37 93.37 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.19 108.94 20.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.36 103.04 10.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -116.04 133.4 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.579 ' CG ' ' HZ1' ' C' ' 28' ' ' LYS . 27.2 t0 -122.1 92.07 3.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.752 ' O ' HG12 ' B' ' 24' ' ' VAL . 2.9 t -79.5 77.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.68 110.12 3.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' C' ' 27' ' ' ASN . 6.4 t -85.27 106.14 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 109.951 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 26' ' ' SER . 2.3 m-80 66.93 94.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.501 ' HG2' HD13 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -50.23 -178.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.437 ' N ' ' HB2' ' C' ' 28' ' ' LYS . . . -120.1 -145.26 7.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -62.51 -84.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -106.02 145.8 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.617 HG23 ' HA ' ' A' ' 32' ' ' ILE . 7.1 tt -148.27 120.47 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.09 128.04 8.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.486 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -128.17 113.12 15.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mtm -128.45 118.36 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.69 96.36 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.64 103.25 2.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.39 106.99 1.97 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.901 ' CG1' HG22 ' C' ' 39' ' ' VAL . 0.2 OUTLIER -113.24 127.57 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 94.1 t -123.74 135.56 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' C' ' 41' ' ' ILE . 4.7 tt -142.53 130.52 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.482 ' CB ' ' HG ' ' B' ' 17' ' ' LEU . 2.0 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 54.7 t -103.15 93.52 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.13 92.42 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.03 133.08 44.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.51 100.58 3.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -114.82 125.15 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -120.64 99.02 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.586 HG13 ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -100.71 91.5 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.13 136.7 12.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -88.68 129.05 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.944 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' B' ' 26' ' ' SER . 6.3 m-80 53.59 89.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.579 ' HZ1' ' CG ' ' B' ' 23' ' ' ASP . 9.3 mmtt -43.69 167.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.68 -175.99 38.43 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' D' ' 30' ' ' ALA . . . -48.18 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.448 ' HB ' HG23 ' D' ' 31' ' ' ILE . 2.7 mp -113.73 107.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.636 HD13 ' N ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -112.17 111.43 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.636 ' N ' HD13 ' C' ' 32' ' ' ILE . . . -106.24 134.16 11.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 tt -130.39 99.59 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mtp -113.29 118.79 35.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 70.3 t -107.85 115.78 49.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.09 97.68 1.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.44 96.06 1.45 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.901 HG22 ' CG1' ' B' ' 39' ' ' VAL . 81.6 t -105.85 123.36 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.78 109.19 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.606 ' HA ' HG23 ' B' ' 41' ' ' ILE . 0.4 OUTLIER -116.26 114.04 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.548 ' HA ' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.475 HD13 HD22 ' E' ' 17' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.55 ' O ' HG12 ' D' ' 18' ' ' VAL . 2.9 t -124.37 92.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -97.97 90.19 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.73 108.01 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.547 ' HA ' ' HB3' ' E' ' 21' ' ' ALA . . . -110.32 92.4 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -105.03 114.84 29.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.97 125.22 41.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.586 ' HB ' HG13 ' C' ' 24' ' ' VAL . 0.2 OUTLIER -113.99 140.78 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.51 146.96 18.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -119.64 95.8 4.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.034 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' D' ' 26' ' ' SER . 0.3 OUTLIER 77.78 84.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -78.33 154.03 31.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' D' ' 30' ' ' ALA . . . -153.66 -167.84 16.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.799 ' O ' ' HB3' ' C' ' 30' ' ' ALA . . . 36.44 -143.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.448 HG23 ' HB ' ' C' ' 31' ' ' ILE . 3.1 mt -105.68 137.55 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.504 HG23 HG12 ' C' ' 32' ' ' ILE . 0.9 OUTLIER -136.81 103.23 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.13 135.18 12.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.29 102.9 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.738 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.33 108.58 16.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 1.061 HG22 ' CG1' ' E' ' 36' ' ' VAL . 38.9 t -106.07 111.44 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.6 155.56 20.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.23 76.78 0.23 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 71.0 t -92.41 110.21 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.623 HG22 ' CG1' ' E' ' 40' ' ' VAL . 47.8 t -118.43 112.82 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.481 ' CG1' HG23 ' C' ' 41' ' ' ILE . 26.8 mt -109.96 112.99 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.548 ' HB3' ' HA ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.475 HD22 HD13 ' D' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -101.62 122.66 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.66 119.27 28.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.87 115.98 20.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' D' ' 21' ' ' ALA . . . -115.88 93.49 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.35 99.01 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -123.18 143.36 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.524 HG12 ' CG1' ' D' ' 24' ' ' VAL . 0.7 OUTLIER -131.69 121.34 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.66 133.45 11.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.3 103.46 15.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.46 86.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.18 136.64 33.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.72 -163.7 10.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.516 ' N ' ' CB ' ' D' ' 30' ' ' ALA . . . 51.06 -155.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.01 94.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -105.36 125.06 60.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.83 118.81 4.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.416 HD23 ' C ' ' E' ' 34' ' ' LEU . 8.5 tt -98.93 97.73 8.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.2 tpp -99.94 119.05 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 1.061 ' CG1' HG22 ' D' ' 36' ' ' VAL . 2.8 p -133.93 77.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.35 108.64 3.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.42 123.09 6.0 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 80.4 t -120.1 122.51 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.623 ' CG1' HG22 ' D' ' 40' ' ' VAL . 0.1 OUTLIER -141.11 114.21 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -113.32 137.5 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 42' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -102.3 110.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.98 132.34 55.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -136.45 134.68 37.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.79 116.32 10.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.45 141.49 46.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 11.4 t0 -139.78 114.86 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 25' ' ' GLY . 6.9 t -80.99 116.84 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.51 84.11 0.36 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 25.6 m -82.08 87.81 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 26' ' ' SER . 8.8 t30 78.82 45.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.65 177.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.687 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 178.62 171.56 42.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 83.54 -158.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.485 HG23 ' HA ' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -95.86 129.16 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -139.78 100.9 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.97 136.75 16.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.5 95.54 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.41 120.33 41.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.791 HG23 ' CG1' ' B' ' 36' ' ' VAL . 9.8 p -119.54 125.54 74.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.89 113.07 1.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.4 125.54 8.6 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' B' ' 40' ' ' VAL . 61.2 t -131.09 86.71 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.777 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.4 t -111.87 109.29 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mt -116.02 113.55 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.974 HD11 HD23 ' C' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -137.24 102.63 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -106.3 105.59 15.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.27 125.88 54.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.35 97.87 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -107.59 144.84 34.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 28.1 t0 -140.97 113.82 8.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.93 102.54 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' VAL . . . -103.32 110.59 3.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.418 ' O ' ' N ' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -105.62 110.64 23.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.975 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 t30 53.82 52.02 13.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.448 ' NZ ' ' OD1' ' A' ' 23' ' ' ASP . 13.4 ptmt -81.69 158.22 24.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' B' ' 30' ' ' ALA . . . -175.91 101.61 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 1.057 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . 177.72 -179.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.485 ' HA ' HG23 ' A' ' 31' ' ' ILE . 1.9 tt -87.53 96.52 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.806 HD12 HG21 ' C' ' 32' ' ' ILE . 1.5 tt -107.05 144.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.92 107.18 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.646 ' CD2' HD12 ' C' ' 34' ' ' LEU . 1.7 mt -98.78 124.78 43.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.9 mtm -134.65 96.63 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.791 ' CG1' HG23 ' A' ' 36' ' ' VAL . 8.9 p -100.61 116.28 43.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.85 112.73 2.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.09 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.03 96.01 1.24 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.2 t -97.4 134.51 35.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' VAL . 89.7 t -150.25 105.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 mt -115.54 92.43 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.974 HD23 HD11 ' B' ' 17' ' ' LEU . 2.4 tp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t -106.74 93.44 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -97.01 114.13 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.497 ' CG ' ' CZ ' ' D' ' 20' ' ' PHE . 0.5 OUTLIER -121.81 142.37 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.96 124.37 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -131.29 124.13 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.434 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 1.5 t70 -120.27 119.95 34.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 75.3 t -100.68 118.73 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.77 119.24 4.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.419 ' O ' ' N ' ' D' ' 27' ' ' ASN . 0.3 OUTLIER -104.1 92.39 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.973 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' B' ' 26' ' ' SER . 1.6 t30 73.91 69.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' B' ' 23' ' ' ASP . 12.1 mtpt -75.3 158.64 32.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.679 ' HA2' ' HB2' ' B' ' 30' ' ' ALA . . . -164.96 -178.46 38.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 1.057 ' O ' ' HB1' ' B' ' 30' ' ' ALA . . . 68.4 -124.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.475 HG12 ' CG2' ' B' ' 31' ' ' ILE . 8.2 mt -123.69 147.12 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.806 HG21 HD12 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -139.44 136.28 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' D' ' 32' ' ' ILE . . . -116.63 97.73 0.77 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.646 HD12 ' CD2' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -98.32 91.6 5.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 7.0 mtp -110.25 111.66 23.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.752 HG13 ' HA ' ' B' ' 36' ' ' VAL . 10.7 p -125.78 130.89 72.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.14 152.48 24.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.14 110.78 0.47 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.585 HG13 HG23 ' D' ' 39' ' ' VAL . 0.9 OUTLIER -114.74 123.37 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 84.5 t -121.42 110.47 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 38.7 mt -107.3 113.34 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.736 HD22 HD13 ' C' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 43.3 t -144.59 93.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.469 ' CE1' ' CG2' ' E' ' 36' ' ' VAL . 3.1 t80 -104.85 100.46 10.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.497 ' CZ ' ' CG ' ' C' ' 20' ' ' PHE . 0.6 OUTLIER -109.92 110.23 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.73 100.52 10.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -106.17 128.42 53.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 13.4 t0 -137.25 124.51 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.37 116.68 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.01 120.21 4.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -101.81 98.42 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.006 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' C' ' 26' ' ' SER . 0.9 OUTLIER 76.61 89.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.434 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 37.8 mttt -92.16 174.06 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.449 ' HA2' ' HB3' ' C' ' 30' ' ' ALA . . . 179.82 -164.62 32.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.546 ' N ' ' CB ' ' C' ' 30' ' ' ALA . . . 56.97 -122.75 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.85 107.64 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.735 HD13 HD12 ' E' ' 32' ' ' ILE . 5.4 mm -91.01 128.53 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' E' ' 34' ' ' LEU . . . -112.58 98.32 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.582 HD21 HD13 ' E' ' 34' ' ' LEU . 0.2 OUTLIER -104.59 103.2 12.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.99 96.69 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.723 ' HA ' HG13 ' E' ' 36' ' ' VAL . 2.7 p -115.79 105.09 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.93 151.4 18.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.569 1.168 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.78 98.57 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.625 HG13 HG23 ' E' ' 39' ' ' VAL . 12.3 p -109.1 130.25 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.632 HG21 ' CD2' ' C' ' 17' ' ' LEU . 79.2 t -137.54 125.61 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 47.5 mt -118.23 121.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 42.3 t -98.23 98.69 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -110.78 88.48 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.83 117.59 35.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.03 125.59 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -133.57 109.86 9.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.52 141.22 51.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -122.26 121.81 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.91 126.52 5.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.34 117.2 33.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 64.32 79.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.457 ' HE2' HD13 ' E' ' 32' ' ' ILE . 15.3 mtpt -87.42 167.82 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.5 -156.5 17.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.431 ' N ' ' CB ' ' D' ' 30' ' ' ALA . . . 57.19 -156.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.372 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.69 90.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.735 HD12 HD13 ' D' ' 32' ' ' ILE . 30.5 mt -77.07 136.94 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.87 70.66 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.582 HD13 HD21 ' D' ' 34' ' ' LEU . 0.7 OUTLIER -73.91 89.4 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.73 124.4 39.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.723 HG13 ' HA ' ' D' ' 36' ' ' VAL . 3.1 p -147.69 91.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.95 109.41 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.72 94.65 1.82 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.625 HG23 HG13 ' D' ' 39' ' ' VAL . 9.2 p -101.26 121.21 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.574 ' HB ' HG22 ' D' ' 40' ' ' VAL . 41.2 t -134.76 102.3 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mt -103.16 127.73 56.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.026 ' CG1' HG22 ' B' ' 18' ' ' VAL . 2.3 p -163.12 120.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.5 141.11 39.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.716 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 38.0 m-85 -132.76 96.57 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.68 130.38 55.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -149.26 148.97 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -120.56 93.39 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.798 ' CG1' HG23 ' B' ' 24' ' ' VAL . 63.2 t -79.96 68.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.71 134.55 12.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -113.26 102.1 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.041 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.51 76.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -113.91 -175.18 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 164.57 -159.2 32.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . 69.24 -168.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 31' ' ' ILE . 1.2 tt -80.15 90.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 9.2 pt -108.95 132.78 56.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.77 125.94 8.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -126.84 73.4 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.9 ttm -93.31 129.47 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.56 110.54 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.54 113.32 4.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.15 90.1 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 38' ' ' GLY . 61.5 t -99.5 118.54 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.1 t -132.55 101.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 mt -96.19 111.94 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.552 HD11 HG21 ' D' ' 40' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 1.026 HG22 ' CG1' ' A' ' 18' ' ' VAL . 58.9 t -103.57 145.87 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.84 103.38 5.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.716 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -102.58 129.41 49.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.04 90.83 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -107.76 118.65 37.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -112.07 102.36 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.798 HG23 ' CG1' ' A' ' 24' ' ' VAL . 12.8 p -106.02 128.75 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.421 ' HA3' ' CE ' ' C' ' 28' ' ' LYS . . . -145.63 138.37 7.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -93.65 93.4 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.8 t30 78.48 108.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -146.72 124.39 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.24 -135.65 3.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.776 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . 62.79 -101.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.58 124.25 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.467 HG12 ' CG2' ' C' ' 32' ' ' ILE . 18.1 mt -122.04 150.56 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' C' ' 32' ' ' ILE . . . -139.13 79.11 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -90.06 119.78 30.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttp -130.06 110.12 11.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.58 119.06 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.96 128.35 8.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 39' ' ' VAL . . . -131.56 89.4 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -102.38 111.1 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 1.013 HG22 ' CG1' ' C' ' 40' ' ' VAL . 92.5 t -121.63 132.28 71.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.484 HD12 HG12 ' C' ' 41' ' ' ILE . 32.1 mt -129.65 119.09 47.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.75 ' HG ' HD13 ' D' ' 17' ' ' LEU . 3.1 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.809 HG22 ' HB ' ' B' ' 18' ' ' VAL . 21.8 t -133.96 113.33 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.79 99.76 9.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.434 ' CD2' ' CE1' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -95.24 132.12 40.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' B' ' 20' ' ' PHE . . . -130.91 92.74 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -106.37 132.17 52.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.421 ' CG ' ' NZ ' ' D' ' 28' ' ' LYS . 18.3 t0 -132.0 106.7 8.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.795 HG13 HG23 ' D' ' 24' ' ' VAL . 9.4 p -102.79 110.17 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.94 153.57 17.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.34 94.15 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 73.5 62.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 25.8 pttt -98.61 113.03 24.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.42 -145.45 6.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' N ' ' D' ' 30' ' ' ALA . . . 61.36 -139.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 37.7 mt -101.88 111.07 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.467 ' CG2' HG12 ' B' ' 32' ' ' ILE . 0.5 OUTLIER -125.86 134.31 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 141.47 12.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.542 HD12 ' HB3' ' D' ' 34' ' ' LEU . 0.2 OUTLIER -132.12 133.65 44.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.96 103.53 5.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 32.0 t -96.31 93.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.69 91.32 1.62 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.97 88.33 0.78 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 88.0 t -106.65 125.08 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 1.013 ' CG1' HG22 ' B' ' 40' ' ' VAL . 1.9 p -141.14 116.1 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.559 HD12 ' CG2' ' D' ' 41' ' ' ILE . 20.4 mt -112.32 144.65 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.75 HD13 ' HG ' ' C' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.518 HG23 ' O ' ' D' ' 17' ' ' LEU . 80.4 t -157.59 105.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.765 ' CE1' ' CE1' ' E' ' 19' ' ' PHE . 2.3 t80 -116.69 99.64 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.496 ' CG ' ' CZ ' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -97.95 104.44 16.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.455 ' HB2' ' HE1' ' D' ' 19' ' ' PHE . . . -106.08 110.77 23.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -121.69 130.96 53.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.43 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 66.7 t0 -132.69 129.3 38.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.795 HG23 HG13 ' C' ' 24' ' ' VAL . 6.0 p -119.77 123.12 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.97 127.12 5.66 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -96.08 98.9 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.79 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' D' ' 26' ' ' SER . 1.0 OUTLIER 76.32 36.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.421 ' NZ ' ' CG ' ' C' ' 23' ' ' ASP . 1.0 OUTLIER -76.08 95.54 3.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.8 -133.46 4.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.491 ' N ' ' HB3' ' C' ' 30' ' ' ALA . . . 52.52 -141.75 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.673 ' HB ' HD13 ' E' ' 31' ' ' ILE . 3.6 mp -98.92 91.51 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.423 HD13 ' C ' ' D' ' 32' ' ' ILE . 0.0 OUTLIER -113.44 139.81 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.27 122.6 2.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.782 HD12 ' N ' ' D' ' 35' ' ' MET . 0.4 OUTLIER -118.24 118.02 30.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.782 ' N ' HD12 ' D' ' 34' ' ' LEU . 7.1 ttt -121.27 147.03 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.922 HG13 ' CG2' ' E' ' 36' ' ' VAL . 3.5 t -124.46 107.19 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.2 83.85 1.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.23 94.21 1.3 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' E' ' 40' ' ' VAL . 20.0 t -113.39 127.02 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.578 HG23 ' CG1' ' E' ' 40' ' ' VAL . 0.7 OUTLIER -144.91 100.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.896 ' CG1' HG23 ' E' ' 41' ' ' ILE . 1.8 pt -112.72 135.55 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 78.3 t -106.77 125.34 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.765 ' CE1' ' CE1' ' D' ' 19' ' ' PHE . 1.1 t80 -134.22 136.05 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.496 ' CZ ' ' CG ' ' D' ' 20' ' ' PHE . 0.8 OUTLIER -138.29 121.62 17.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.514 ' HB2' ' CZ ' ' E' ' 19' ' ' PHE . . . -117.58 130.66 56.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.33 88.95 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.77 136.3 33.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.593 HG23 HG13 ' D' ' 24' ' ' VAL . 7.1 p -133.47 137.91 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.4 142.97 10.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.3 OUTLIER -104.6 115.63 30.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 0.781 . . . . 0.0 109.975 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.573 ' O ' ' C ' ' E' ' 28' ' ' LYS . 27.0 t30 87.32 -42.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' E' ' 27' ' ' ASN . 1.4 mtmt 26.57 60.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.83 -157.4 27.51 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 54.38 -140.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.747 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.673 HD13 ' HB ' ' D' ' 31' ' ' ILE . 4.1 mm -102.37 114.86 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.58 ' C ' HD13 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -137.67 118.42 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.68 111.66 1.99 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.769 HD21 ' HB2' ' D' ' 34' ' ' LEU . 0.4 OUTLIER -109.42 136.17 49.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' D' ' 35' ' ' MET . 14.9 ttt -144.24 134.6 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.922 ' CG2' HG13 ' D' ' 36' ' ' VAL . 12.6 m -103.11 144.96 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.79 124.69 7.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.27 68.01 0.5 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.463 HG12 HG13 ' E' ' 41' ' ' ILE . 39.6 t -86.5 138.03 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.705 ' O ' HG12 ' E' ' 40' ' ' VAL . 2.5 t -146.65 82.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.896 HG23 ' CG1' ' D' ' 41' ' ' ILE . 2.8 mt -107.13 101.64 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.606 ' HB2' HD11 ' B' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 17' ' ' LEU . 53.9 t -157.97 122.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.68 122.43 38.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 22' ' ' GLU . 38.9 t80 -122.28 113.82 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.17 100.33 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -123.52 139.32 54.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 29.0 t0 -139.95 122.76 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 1.5 m -100.64 114.34 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' CA ' ' HD2' ' B' ' 28' ' ' LYS . . . -116.21 94.25 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 t -80.43 124.84 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.802 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 53.89 80.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -178.76 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' O ' HD11 ' A' ' 32' ' ' ILE . . . 151.64 179.45 27.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.567 1.167 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 65.46 -165.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 109.205 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.843 HG23 ' HA ' ' B' ' 31' ' ' ILE . 7.5 tt -73.74 102.11 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.425 HD11 ' O ' ' A' ' 29' ' ' GLY . 29.7 mm -94.44 142.36 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' B' ' 32' ' ' ILE . . . -139.27 71.59 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.482 HD11 HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -98.01 86.56 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.4 mtt -90.19 103.58 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.5 t -106.15 124.87 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.34 124.5 3.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.44 126.1 6.51 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.2 t -132.25 93.82 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.969 HG22 ' CG1' ' B' ' 40' ' ' VAL . 75.2 t -114.7 125.48 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.585 1.178 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.3 mt -133.5 93.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 17' ' ' LEU . 2.8 pp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 49.8 t -130.54 144.55 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -138.0 99.84 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -101.78 132.03 47.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.76 120.04 12.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.21 134.13 37.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -133.61 115.37 14.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.238 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' C' ' 25' ' ' GLY . 90.6 t -98.41 113.92 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.57 100.37 0.83 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.23 127.43 35.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 0.814 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 57.92 62.25 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.44 ' NZ ' ' OD1' ' A' ' 23' ' ' ASP . 19.5 mttt -64.76 159.11 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.38 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.91 -179.09 44.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.09 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.452 ' CB ' ' N ' ' C' ' 30' ' ' ALA . . . 58.43 -157.59 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.843 ' HA ' HG23 ' A' ' 31' ' ' ILE . 13.7 mt -74.8 115.37 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' GLY . 4.0 mm -115.61 88.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.43 102.13 2.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.582 1.176 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.598 HD23 HG23 ' B' ' 36' ' ' VAL . 0.2 OUTLIER -122.18 130.56 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 0.712 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.56 104.17 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.598 HG23 HD23 ' B' ' 34' ' ' LEU . 93.7 t -106.36 106.68 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.86 120.13 4.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.77 78.51 0.24 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.78 105.58 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.969 ' CG1' HG22 ' A' ' 40' ' ' VAL . 1.8 p -136.86 116.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mt -128.66 122.47 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' B' ' 17' ' ' LEU . 2.4 tt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -149.36 129.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.55 114.9 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -118.63 118.81 32.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.23 98.04 4.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.94 122.01 42.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.42 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 6.9 t0 -127.79 117.76 22.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 t -100.17 104.1 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 24' ' ' VAL . . . -107.46 115.83 4.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -102.02 128.88 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.784 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 59.89 70.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -75.12 152.49 38.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.648 ' O ' HD11 ' C' ' 32' ' ' ILE . . . 179.31 -178.2 48.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . 63.23 -129.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mp -107.6 117.27 52.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.648 HD11 ' O ' ' C' ' 29' ' ' GLY . 18.1 mm -114.18 105.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.41 110.17 2.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.7 HD11 HD23 ' D' ' 34' ' ' LEU . 0.3 OUTLIER -129.02 119.68 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -115.29 95.06 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.504 HG22 ' CG1' ' D' ' 36' ' ' VAL . 59.2 t -100.11 91.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.365 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.31 122.82 6.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.8 100.92 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.423 ' CG1' HG23 ' D' ' 39' ' ' VAL . 2.8 t -106.16 125.33 61.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' B' ' 40' ' ' VAL . 2.5 p -152.76 111.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.46 130.52 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.527 HD21 HG11 ' E' ' 40' ' ' VAL . 1.2 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t -137.3 109.22 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -112.93 126.26 55.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -134.04 113.0 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.62 94.67 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -109.31 107.89 18.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.082 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.429 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 31.4 t70 -121.25 120.39 35.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.834 HG23 HG12 ' E' ' 24' ' ' VAL . 1.9 t -107.59 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.88 124.11 8.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -116.63 126.14 52.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.729 . . . . 0.0 110.006 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' D' ' 26' ' ' SER . 21.1 t30 84.23 44.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.42 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 73.6 mttt -61.02 157.1 16.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.8 -170.87 43.76 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.57 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . 61.95 -112.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 0.761 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -128.17 122.41 58.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.638 HG22 ' O ' ' D' ' 32' ' ' ILE . 1.2 mp -123.25 99.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.0 93.76 0.79 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.565 1.166 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.7 HD23 HD11 ' C' ' 34' ' ' LEU . 0.6 OUTLIER -110.04 108.25 18.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.569 ' N ' HD12 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -102.12 97.74 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.504 ' CG1' HG22 ' C' ' 36' ' ' VAL . 0.2 OUTLIER -105.88 104.76 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.12 155.15 17.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' C' ' 39' ' ' VAL . . . -151.97 95.13 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.9 ' CG1' HG22 ' E' ' 39' ' ' VAL . 0.4 OUTLIER -108.95 119.97 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.555 ' HB ' HG13 ' E' ' 40' ' ' VAL . 0.2 OUTLIER -133.84 119.98 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.465 HD12 HG12 ' E' ' 41' ' ' ILE . 22.5 mt -119.26 128.06 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 92.5 t -138.89 108.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -114.87 128.49 56.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.19 104.78 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.99 122.12 45.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.83 114.59 17.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -140.41 122.94 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.834 HG12 HG23 ' D' ' 24' ' ' VAL . 2.2 m -127.9 121.68 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.102 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.72 156.43 26.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.577 1.173 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.545 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.5 OUTLIER -128.82 71.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' E' ' 26' ' ' SER . 7.3 m-20 153.26 45.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 0.0 OUTLIER -73.1 148.11 44.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.385 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.6 -168.42 37.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' D' ' 30' ' ' ALA . . . 62.29 -147.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 0.732 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 mm -87.24 108.59 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.374 1.046 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.462 ' CG2' HG13 ' D' ' 32' ' ' ILE . 41.1 mm -110.55 77.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.13 103.99 2.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.507 HD11 HD22 ' D' ' 34' ' ' LEU . 0.7 OUTLIER -121.76 141.63 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.8 150.67 42.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.644 ' O ' HG22 ' E' ' 36' ' ' VAL . 0.2 OUTLIER -162.87 86.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.56 11.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.18 102.16 1.05 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.9 HG22 ' CG1' ' D' ' 39' ' ' VAL . 73.6 t -107.53 127.77 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.555 HG13 ' HB ' ' D' ' 40' ' ' VAL . 0.2 OUTLIER -152.85 101.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.465 HG12 HD12 ' D' ' 41' ' ' ILE . 3.5 mp -112.28 122.61 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.55 HD22 HD13 ' B' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.1 t -113.92 108.46 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.56 114.67 26.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CD1' ' CZ ' ' B' ' 20' ' ' PHE . 2.0 t80 -134.14 143.31 47.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.71 123.11 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -137.45 143.39 41.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -146.18 122.84 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.079 ' CG1' HG23 ' B' ' 24' ' ' VAL . 9.6 p -107.43 146.19 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.07 107.23 0.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 68.9 m -74.3 77.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.963 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 26' ' ' SER . 4.2 m120 84.39 99.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' CB ' ' HB2' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -130.17 -162.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 139.92 -139.54 9.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.32 -98.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.4 mt -134.12 102.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.692 ' C ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -125.85 128.4 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.674 ' N ' HD13 ' A' ' 32' ' ' ILE . . . -122.75 112.51 1.97 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 35' ' ' MET . 2.0 tp -100.39 128.3 46.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.699 ' N ' HD12 ' A' ' 34' ' ' LEU . 8.8 mtt -143.03 118.02 10.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.609 HG13 HD11 ' A' ' 34' ' ' LEU . 29.3 m -118.99 129.32 75.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.57 83.42 0.35 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.97 120.87 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.8 t -136.42 125.63 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.9 t -131.16 137.45 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.533 HG23 HG13 ' B' ' 41' ' ' ILE . 11.5 tt -158.07 154.58 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.55 HD13 HD22 ' A' ' 17' ' ' LEU . 7.4 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.464 HG23 ' C ' ' B' ' 17' ' ' LEU . 96.5 t -155.02 133.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -132.96 96.93 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.419 ' CZ ' ' CD1' ' A' ' 20' ' ' PHE . 1.2 t80 -118.83 134.46 55.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.04 105.59 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.47 129.81 55.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.454 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 35.1 t70 -126.56 97.75 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 1.135 ' CG1' HG22 ' C' ' 24' ' ' VAL . 12.4 p -96.07 119.32 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.24 134.03 8.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 15.1 m -100.51 100.56 11.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 0.736 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' B' ' 26' ' ' SER . 9.9 m-80 75.98 105.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.459 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 12.5 mttt -117.11 -164.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.6 -157.22 24.53 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.12 -95.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' C' ' 32' ' ' ILE . 83.2 mt -140.65 123.97 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.2 126.49 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.15 110.24 1.4 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tp -101.43 102.95 13.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mtm -120.63 120.58 36.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.792 HG12 ' CG2' ' C' ' 36' ' ' VAL . 23.4 m -117.55 133.74 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.18 100.1 0.76 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.32 89.12 0.54 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 75.5 t -111.21 106.39 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.0 t -112.59 113.37 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.54 HG23 ' HA ' ' C' ' 41' ' ' ILE . 15.1 tt -129.31 114.15 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.733 HD13 HD22 ' D' ' 17' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.471 ' HB ' HG22 ' D' ' 18' ' ' VAL . 22.6 t -94.18 100.52 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.3 121.95 45.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.6 130.9 28.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.04 109.55 10.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -116.79 123.94 48.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.448 ' OD2' ' NZ ' ' D' ' 28' ' ' LYS . 23.7 t70 -124.44 131.63 53.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 1.135 HG22 ' CG1' ' B' ' 24' ' ' VAL . 58.2 t -121.31 107.56 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.43 107.23 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.24 132.32 35.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 26' ' ' SER . 2.4 m120 59.98 55.04 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 9.8 mttt -67.27 153.75 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.62 ' N ' HD11 ' C' ' 32' ' ' ILE . . . 176.23 -170.06 42.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . 58.49 -147.07 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mp -78.19 113.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.62 HD11 ' N ' ' C' ' 29' ' ' GLY . 11.8 mt -117.35 83.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.61 101.62 2.79 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.58 HD11 HG13 ' C' ' 36' ' ' VAL . 3.0 tp -112.72 115.05 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 21.0 ttt -136.95 101.68 4.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.792 ' CG2' HG12 ' B' ' 36' ' ' VAL . 23.2 m -91.68 123.67 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.98 126.46 8.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.21 96.74 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -120.1 132.85 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 53.2 t -125.72 101.92 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.575 HG23 ' HA ' ' D' ' 41' ' ' ILE . 3.9 tt -117.65 108.12 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.733 HD22 HD13 ' C' ' 17' ' ' LEU . 3.8 mp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.471 HG22 ' HB ' ' C' ' 18' ' ' VAL . 72.8 t -132.65 129.4 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.447 ' CE1' HG13 ' E' ' 36' ' ' VAL . 4.4 t80 -131.31 99.27 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.19 133.03 53.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.59 106.82 8.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.3 137.1 52.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.41 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 27.0 t0 -141.57 108.58 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -103.88 105.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.67 131.58 9.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.445 ' O ' ' N ' ' E' ' 27' ' ' ASN . 0.4 OUTLIER -102.12 131.16 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.045 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 65.24 71.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.448 ' NZ ' ' OD2' ' C' ' 23' ' ' ASP . 16.4 mttt -88.98 131.51 35.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.444 ' N ' HD11 ' D' ' 32' ' ' ILE . . . -163.21 -155.21 8.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.631 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . 54.37 -101.22 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 34.7 mt -130.86 114.62 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.55 HG13 HD12 ' E' ' 32' ' ' ILE . 2.7 mp -111.56 99.41 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 115.04 4.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.672 HD13 HD21 ' E' ' 34' ' ' LEU . 1.7 tp -130.0 112.13 13.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.43 121.43 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.758 HG21 HG12 ' C' ' 36' ' ' VAL . 2.4 t -95.77 121.91 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . -107.38 82.54 0.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.3 76.13 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 73.8 t -108.67 140.31 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 66.4 t -135.31 109.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.708 HG21 HD12 ' E' ' 41' ' ' ILE . 2.9 tt -117.84 122.0 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.78 123.83 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -124.33 122.51 37.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -134.24 117.79 16.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.77 106.38 12.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.33 101.82 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.66 130.68 53.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 42.6 t -131.61 108.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.69 142.31 13.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.67 135.79 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' D' ' 26' ' ' SER . 0.8 OUTLIER 66.58 79.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.599 ' O ' HD11 ' E' ' 32' ' ' ILE . 5.5 mttt -102.29 52.93 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.11 60.68 0.7 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.01 -145.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.54 98.43 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.599 HD11 ' O ' ' E' ' 28' ' ' LYS . 5.1 mt -93.44 122.27 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.96 72.57 0.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.718 ' C ' HD12 ' E' ' 34' ' ' LEU . 0.1 OUTLIER -92.17 117.17 29.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.746 . . . . 0.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.7 mtm -127.14 120.39 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.447 HG13 ' CE1' ' D' ' 19' ' ' PHE . 95.7 t -87.81 102.46 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.0 75.73 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' D' ' 37' ' ' GLY . . . -108.05 70.27 0.21 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -112.62 126.08 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -123.27 113.15 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.708 HD12 HG21 ' D' ' 41' ' ' ILE . 2.1 tt -118.62 124.31 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.1 t -101.46 128.43 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -134.62 90.46 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 0.1 OUTLIER -82.07 130.84 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.78 82.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.27 127.65 56.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 30.5 t70 -112.01 90.86 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.3 t -76.23 104.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.05 98.33 0.6 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.2 m -78.34 95.41 5.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 0.778 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.3 t30 74.46 123.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' CB ' ' HB2' ' B' ' 28' ' ' LYS . 5.5 pttp -168.39 -163.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 28' ' ' LYS . . . 158.86 -133.73 3.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.65 -149.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.268 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 mt -82.41 118.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.797 ' C ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -126.91 119.64 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.732 ' N ' HD13 ' A' ' 32' ' ' ILE . . . -105.78 114.98 4.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -111.94 126.19 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.9 97.9 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.014 HG13 ' CG2' ' B' ' 36' ' ' VAL . 21.4 t -106.58 122.09 60.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.02 96.1 0.47 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.22 125.61 8.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.12 96.33 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.345 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 40' ' ' VAL . 7.7 m -115.06 103.21 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.6 mt -100.19 119.85 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -85.96 122.83 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -130.99 92.6 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.483 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -95.33 121.85 37.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.86 106.11 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -127.21 143.81 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 62.5 t0 -131.76 107.06 8.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 90.8 t -93.46 94.69 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.24 111.98 3.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 67.4 m -89.75 94.99 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' B' ' 26' ' ' SER . 7.9 t30 82.9 95.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 10.6 mttt -108.91 -174.21 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.96 -165.9 31.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.461 ' HB3' ' N ' ' C' ' 30' ' ' ALA . . . 61.26 -143.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.51 95.03 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.795 ' C ' HD13 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -107.19 121.36 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.763 ' N ' HD13 ' B' ' 32' ' ' ILE . . . -108.02 129.65 9.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.853 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -130.22 109.2 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.401 ' N ' HD13 ' B' ' 34' ' ' LEU . 50.0 mtp -137.0 134.45 36.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 1.014 ' CG2' HG13 ' A' ' 36' ' ' VAL . 7.5 m -131.77 146.95 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.26 113.19 0.79 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.28 83.87 0.35 Allowed Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.61 74.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.42 0.718 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.688 ' C ' HD12 ' B' ' 41' ' ' ILE . 3.5 m -98.19 137.26 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.688 HD12 ' C ' ' B' ' 40' ' ' VAL . 3.5 mp -128.11 138.09 55.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.727 ' HA ' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' D' ' 17' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.659 ' O ' HG12 ' C' ' 18' ' ' VAL . 5.0 t -130.79 80.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.39 122.23 33.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.16 122.12 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.37 109.87 12.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -125.3 112.42 16.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.412 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 31.1 t70 -103.12 99.6 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' D' ' 23' ' ' ASP . 61.6 t -92.48 92.77 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.32 132.61 10.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' D' ' 27' ' ' ASN . 19.2 m -109.29 116.74 32.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' B' ' 26' ' ' SER . 6.6 t-20 73.47 51.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.441 ' CE ' ' HD3' ' B' ' 28' ' ' LYS . 15.5 ttpt -76.24 167.52 21.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.42 -152.04 22.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.529 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . 63.69 -127.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mt -117.28 113.16 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.632 HG13 HG22 ' D' ' 32' ' ' ILE . 4.0 tt -124.41 139.74 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.78 83.13 0.35 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.085 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' D' ' 34' ' ' LEU . 0.2 OUTLIER -82.46 102.69 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtt -127.23 118.01 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.839 HG12 HG22 ' D' ' 36' ' ' VAL . 28.5 m -118.11 121.7 67.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.19 117.36 3.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.3 98.95 0.8 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 66.9 t -105.2 129.77 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.656 HG23 HG12 ' B' ' 40' ' ' VAL . 9.6 t -135.36 133.88 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mm -133.22 92.13 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.727 ' HB3' ' HA ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.522 ' HB3' HD13 ' C' ' 17' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.807 ' CG1' HG22 ' E' ' 18' ' ' VAL . 0.9 OUTLIER -147.27 118.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -113.55 132.98 55.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.3 118.68 25.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.79 84.53 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -101.83 121.45 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' C' ' 24' ' ' VAL . 28.0 t70 -119.81 122.03 40.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.653 ' CG1' HG23 ' E' ' 24' ' ' VAL . 4.3 t -115.36 82.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.53 121.07 6.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 73.4 m -96.4 115.65 27.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 0.768 . . . . 0.0 110.005 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' D' ' 26' ' ' SER . 1.9 t-20 78.58 72.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.412 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 20.2 mtpt -89.61 151.84 21.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.0 -160.51 26.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.529 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . 63.17 -107.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 59.3 mt -130.05 117.38 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.632 HG22 HG13 ' C' ' 32' ' ' ILE . 3.7 mt -112.87 139.64 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' E' ' 34' ' ' LEU . . . -135.23 111.78 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' C' ' 34' ' ' LEU . 0.3 OUTLIER -117.75 79.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.431 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.3 mtp -105.11 96.26 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.839 HG22 HG12 ' C' ' 36' ' ' VAL . 17.9 m -101.4 119.5 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.53 133.35 11.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.82 92.39 0.23 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -103.72 131.64 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.11 97.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.617 ' HB ' HG23 ' E' ' 41' ' ' ILE . 6.4 mm -97.98 116.57 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.807 HG22 ' CG1' ' D' ' 18' ' ' VAL . 83.1 t -107.72 108.55 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -99.66 86.48 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.48 125.49 34.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.63 80.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.01 115.57 27.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.56 141.25 52.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.653 HG23 ' CG1' ' D' ' 24' ' ' VAL . 1.9 p -148.0 108.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.38 155.16 25.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.81 151.43 23.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' D' ' 26' ' ' SER . 2.1 m-80 53.6 87.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.411 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 0.1 OUTLIER -110.65 108.81 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.06 -149.48 7.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.428 1.08 . . . . 0.0 110.995 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.83 -149.52 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 tt -103.29 93.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -74.29 93.52 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.95 71.47 2.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' D' ' 33' ' ' GLY . 0.2 OUTLIER -91.72 103.7 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' D' ' 35' ' ' MET . 2.3 ptm -147.11 146.74 30.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' D' ' 36' ' ' VAL . 8.4 m -127.76 145.62 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.75 91.99 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.59 67.88 0.93 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -89.32 96.85 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -106.37 123.78 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.617 HG23 ' HB ' ' D' ' 41' ' ' ILE . 15.0 mt -132.75 130.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.5 t -145.59 119.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -120.9 125.98 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.635 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 1.4 m-85 -126.28 76.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HA ' ' HB3' ' B' ' 21' ' ' ALA . . . -86.27 95.61 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.1 148.06 43.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.509 ' CG ' ' HZ1' ' B' ' 28' ' ' LYS . 26.8 t0 -137.64 93.57 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.9 t -79.37 84.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.11 126.75 8.87 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 p -109.86 101.97 10.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 0.727 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.83 114.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 3.8 pttt -168.64 -175.68 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.9 -127.07 2.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.48 -101.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.5 mt -130.06 106.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.622 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.2 mt -125.43 117.6 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.45 95.11 0.95 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.09 114.35 28.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttm -125.23 114.71 19.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.414 HG23 HG13 ' B' ' 36' ' ' VAL . 4.2 p -121.32 123.36 69.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.89 131.31 9.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.6 112.91 2.76 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.71 102.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.4 t -121.64 102.64 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.2 mt -102.21 83.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.5 t -129.96 118.34 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -121.99 93.34 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.635 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -95.7 136.59 35.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -140.11 84.22 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.408 ' OE2' ' CG2' ' B' ' 24' ' ' VAL . 11.0 tt0 -106.84 122.54 46.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.11 107.83 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.367 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.408 ' CG2' ' OE2' ' B' ' 22' ' ' GLU . 54.3 t -94.94 98.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.09 111.89 2.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 40.5 m -95.09 100.36 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.8 t30 76.99 55.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -104.08 -178.34 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.08 -130.42 4.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.95 -101.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mt -134.16 101.12 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.831 HG13 HG23 ' C' ' 32' ' ' ILE . 4.1 tt -116.81 147.27 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.27 86.43 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mp -92.92 133.13 36.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.5 ttt -144.72 100.8 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.76 HG23 ' CG1' ' C' ' 36' ' ' VAL . 2.3 p -112.23 138.07 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.23 133.08 6.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.446 1.091 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.91 92.56 0.56 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.728 HG12 HG23 ' C' ' 39' ' ' VAL . 2.5 t -94.26 135.34 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 86.7 t -148.03 127.91 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 57.4 mt -130.11 121.2 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.692 HD23 HD12 ' D' ' 17' ' ' LEU . 20.8 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.538 HG23 HG12 ' D' ' 18' ' ' VAL . 7.3 t -82.17 80.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.59 88.87 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.26 118.06 35.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.54 113.69 20.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -133.2 137.83 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.429 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 63.3 t0 -132.51 107.84 8.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.33 98.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.57 122.75 6.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.47 99.81 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.7 73.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 0.4 OUTLIER -118.46 110.22 17.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.96 -144.18 6.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.429 ' HB3' ' N ' ' D' ' 30' ' ' ALA . . . 55.4 -137.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.69 116.71 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.831 HG23 HG13 ' B' ' 32' ' ' ILE . 0.8 OUTLIER -132.35 127.48 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.14 146.38 18.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.657 HD23 ' C ' ' C' ' 34' ' ' LEU . 3.7 tt -153.11 119.44 5.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.595 ' N ' HD23 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -116.6 141.39 48.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.76 ' CG1' HG23 ' B' ' 36' ' ' VAL . 19.4 t -136.04 95.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.3 107.5 2.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.34 104.42 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.728 HG23 HG12 ' B' ' 39' ' ' VAL . 0.9 OUTLIER -117.55 135.06 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.39 118.28 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.362 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 8.6 mt -113.84 131.18 66.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.739 HD22 ' HG ' ' E' ' 17' ' ' LEU . 1.5 mm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.538 HG12 HG23 ' C' ' 18' ' ' VAL . 2.2 m -138.74 113.24 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -116.44 109.82 17.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.444 ' CG ' ' CZ ' ' E' ' 20' ' ' PHE . 0.3 OUTLIER -106.0 123.47 48.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.14 105.89 8.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.78 126.9 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.44 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 40.9 t0 -123.66 120.93 34.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 74.3 t -109.89 102.24 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.29 120.54 5.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.94 99.58 11.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 71.46 86.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 8.8 pttt -128.24 113.42 15.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.89 -141.66 4.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.429 ' N ' ' HB3' ' C' ' 30' ' ' ALA . . . 58.09 -100.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 78.1 mt -138.19 110.71 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.755 HG12 HG23 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -137.19 113.93 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.702 ' N ' HD13 ' D' ' 32' ' ' ILE . . . -121.44 130.63 8.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.71 132.45 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.08 132.95 56.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -128.05 96.58 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.12 124.63 8.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.5 103.13 0.49 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.686 HG13 HG23 ' E' ' 39' ' ' VAL . 1.3 p -116.88 131.87 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.525 HG21 HD13 ' C' ' 17' ' ' LEU . 76.1 t -134.0 135.51 54.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 mt -129.66 121.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.739 ' HG ' HD22 ' D' ' 17' ' ' LEU . 7.1 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -141.29 137.48 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -157.73 118.43 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.444 ' CZ ' ' CG ' ' D' ' 20' ' ' PHE . 1.3 m-85 -118.77 127.73 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.87 110.71 12.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -116.67 100.83 8.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -97.49 126.66 42.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -126.57 98.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.73 133.03 10.44 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -104.74 113.83 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 65.38 77.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.44 ' NZ ' ' OD1' ' D' ' 23' ' ' ASP . 21.0 pttt -119.46 98.08 5.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.11 -134.48 6.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 50.7 -145.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mt -102.14 98.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.755 HG23 HG12 ' D' ' 32' ' ' ILE . 0.0 OUTLIER -122.23 130.51 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.41 ' N ' HD13 ' E' ' 32' ' ' ILE . . . -133.54 127.41 4.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.055 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.87 124.63 43.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.7 tpp -106.47 131.24 53.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -125.69 95.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.68 137.73 13.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.45 1.094 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.5 99.39 0.24 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.686 HG23 HG13 ' D' ' 39' ' ' VAL . 12.2 p -111.61 134.32 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 69.3 t -138.53 131.84 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 7.0 mt -124.45 124.28 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -105.31 155.48 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.74 112.4 14.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CD2' ' CZ ' ' B' ' 20' ' ' PHE . 1.6 m-85 -108.45 77.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.35 128.67 52.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.96 152.29 24.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -132.03 102.47 5.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.06 124.22 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.84 106.29 1.01 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 27' ' ' ASN . 4.4 p -98.47 99.38 10.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t30 63.24 163.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 60.35 113.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.11 -50.31 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB3' ' N ' ' B' ' 30' ' ' ALA . . . 42.61 -146.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.53 106.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.879 HG12 HG23 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -129.72 142.56 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.553 ' N ' HD13 ' A' ' 32' ' ' ILE . . . -127.27 107.75 0.91 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.551 HD22 HD13 ' B' ' 34' ' ' LEU . 0.1 OUTLIER -102.17 92.25 4.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.297 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtt -105.51 118.34 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -125.6 140.89 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.65 114.9 1.89 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.43 114.66 4.33 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.723 ' HB ' HG13 ' B' ' 39' ' ' VAL . 12.7 t -126.33 91.81 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.4 t -100.79 102.86 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -116.53 113.75 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.778 ' HG ' HD13 ' C' ' 17' ' ' LEU . 1.2 mp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.928 HG22 HG13 ' C' ' 18' ' ' VAL . 3.6 m -140.09 151.61 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.33 102.05 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.482 ' CZ ' ' CD2' ' A' ' 20' ' ' PHE . 1.9 m-85 -103.55 125.03 49.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.33 82.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.425 ' CG ' ' HG3' ' C' ' 22' ' ' GLU . 14.1 pt-20 -106.01 142.13 36.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.439 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 19.5 t0 -128.43 100.79 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -80.91 82.11 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.91 107.1 3.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' C' ' 27' ' ' ASN . 28.8 t -100.22 111.07 23.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.8 m120 62.91 69.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -73.15 -95.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.55 176.2 48.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.465 ' N ' ' HB3' ' A' ' 30' ' ' ALA . . . 64.86 -144.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.85 116.89 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.879 HG23 HG12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -137.52 110.3 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.594 ' N ' HD13 ' B' ' 32' ' ' ILE . . . -99.68 145.06 17.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.551 HD13 HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -137.28 126.31 24.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -140.4 106.38 5.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.535 HG23 ' CG1' ' C' ' 36' ' ' VAL . 0.3 OUTLIER -117.75 125.21 73.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.19 111.95 3.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.45 93.06 0.8 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.723 HG13 ' HB ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -109.99 138.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 52.8 t -143.23 88.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.8 mt -97.39 120.55 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.933 HD23 HD13 ' D' ' 17' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.928 HG13 HG22 ' B' ' 18' ' ' VAL . 2.9 t -84.61 140.21 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.484 ' HA ' ' CB ' ' D' ' 19' ' ' PHE . 39.5 t80 -147.47 89.79 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.46 137.96 31.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.2 100.79 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' CG ' ' B' ' 22' ' ' GLU . 2.9 tt0 -117.12 132.68 56.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -123.38 106.08 10.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 38.2 t -95.31 102.52 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.01 112.79 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.09 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 0.5 OUTLIER -95.69 93.66 7.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' C' ' 26' ' ' SER . 8.0 t-20 80.03 67.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.439 ' NZ ' ' OD1' ' B' ' 23' ' ' ASP . 16.5 mtmt -64.81 -101.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.92 -171.84 53.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.575 1.172 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.435 ' CB ' ' N ' ' D' ' 30' ' ' ALA . . . 58.05 -142.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mt -106.24 114.06 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.732 HD11 HD12 ' C' ' 34' ' ' LEU . 0.1 OUTLIER -128.4 123.22 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.465 ' N ' HD12 ' C' ' 32' ' ' ILE . . . -112.32 124.53 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.732 HD12 HD11 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -116.49 113.58 23.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.05 100.37 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.535 ' CG1' HG23 ' B' ' 36' ' ' VAL . 2.1 t -100.03 107.04 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -100.97 102.14 2.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.35 93.66 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.893 ' CG2' HG13 ' D' ' 39' ' ' VAL . 1.0 OUTLIER -127.46 127.37 68.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.1 t -118.48 104.93 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 mt -105.69 109.88 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.933 HD13 HD23 ' C' ' 17' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -121.74 94.33 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.484 ' CB ' ' HA ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -83.32 135.08 34.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.41 ' CB ' ' HA ' ' E' ' 20' ' ' PHE . 0.7 OUTLIER -139.95 102.81 4.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.17 95.04 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . 0.401 ' CG ' ' OE1' ' C' ' 22' ' ' GLU . 4.0 tt0 -108.11 119.54 39.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.451 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 31.9 t70 -116.48 116.73 28.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 37.8 t -110.46 90.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.95 116.31 4.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -92.21 95.69 9.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.963 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' D' ' 26' ' ' SER . 0.4 OUTLIER 78.39 76.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.412 ' CD ' ' HG2' ' C' ' 28' ' ' LYS . 27.8 mttt -67.25 -92.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.96 -161.26 50.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . 44.62 -144.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.12 111.31 34.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 tt -128.54 113.45 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.17 108.67 3.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.66 112.78 24.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.19 123.77 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.97 107.2 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.68 112.36 4.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' C' ' 37' ' ' GLY . . . -136.08 74.23 0.42 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.893 HG13 ' CG2' ' C' ' 39' ' ' VAL . 17.4 t -112.15 143.61 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -138.69 134.5 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -135.4 108.95 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -97.55 127.78 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.69 84.11 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.41 ' HA ' ' CB ' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -93.87 126.74 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.03 116.7 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -124.47 85.4 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -84.44 122.46 29.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -120.19 109.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.44 135.91 8.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.69 110.35 22.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.23 78.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.451 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 51.1 mttt -72.19 -81.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.402 ' C ' ' HB3' ' D' ' 30' ' ' ALA . . . 61.31 -154.26 38.0 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.493 1.12 . . . . 0.0 110.963 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.596 ' C ' HD13 ' E' ' 31' ' ' ILE . . . 47.17 -148.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.767 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.596 HD13 ' C ' ' E' ' 30' ' ' ALA . 1.4 mm -107.73 111.83 37.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.552 HD13 ' N ' ' E' ' 33' ' ' GLY . 0.0 OUTLIER -133.37 149.4 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.552 ' N ' HD13 ' E' ' 32' ' ' ILE . . . -146.74 123.51 1.8 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.52 133.24 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.34 121.81 19.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.34 100.98 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.59 88.98 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.29 68.73 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 92.9 t -113.37 129.37 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 48.6 t -122.92 114.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mm -113.5 97.12 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' B' ' 17' ' ' LEU . 21.1 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -149.41 121.01 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.34 109.24 10.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -107.7 121.42 44.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.14 77.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.17 133.09 34.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -130.23 82.56 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.72 115.65 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.15 94.16 0.35 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 1.1 t -80.59 89.73 5.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.3 t30 81.13 102.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 174.9 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.58 50.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' B' ' 30' ' ' ALA . . . -153.06 -171.94 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.9 mt -74.38 143.48 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.904 HD12 HG21 ' B' ' 32' ' ' ILE . 1.6 tt -141.19 111.32 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.13 112.08 3.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' B' ' 34' ' ' LEU . 0.7 OUTLIER -101.11 115.04 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.407 ' O ' ' HA ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -137.61 93.15 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.899 ' HA ' HG22 ' B' ' 36' ' ' VAL . 16.6 t -98.03 86.61 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.62 137.22 15.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.91 139.68 6.3 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.96 HG22 HG13 ' B' ' 39' ' ' VAL . 4.4 m -137.97 124.13 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.124 HG22 ' CG1' ' B' ' 40' ' ' VAL . 59.7 t -122.17 125.77 73.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.562 HG21 HD12 ' B' ' 41' ' ' ILE . 0.1 OUTLIER -146.48 107.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.555 ' HB3' HD22 ' A' ' 17' ' ' LEU . 1.4 tt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 t -113.04 128.92 69.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -137.84 99.1 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.551 ' CD2' ' CE1' ' C' ' 20' ' ' PHE . 0.6 OUTLIER -98.71 124.96 43.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.22 108.49 5.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.86 148.46 52.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 36.8 t0 -137.54 111.23 8.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.5 t -95.93 98.78 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.63 111.3 3.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -94.6 104.87 16.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 0.771 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.3 t-20 82.28 51.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -50.34 171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.405 ' O ' ' HA2' ' C' ' 29' ' ' GLY . . . 161.38 41.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -140.18 172.79 12.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.442 HG22 ' O ' ' B' ' 31' ' ' ILE . 7.4 mt -78.04 88.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.904 HG21 HD12 ' A' ' 32' ' ' ILE . 2.7 tt -82.74 119.95 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.53 85.84 0.4 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -74.5 119.36 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 0.725 . . . . 0.0 109.262 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -146.14 120.65 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.899 HG22 ' HA ' ' A' ' 36' ' ' VAL . 3.0 m -127.4 151.34 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.76 100.75 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.39 81.35 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.96 HG13 HG22 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -98.99 137.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 1.124 ' CG1' HG22 ' A' ' 40' ' ' VAL . 2.4 p -155.5 110.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.562 HD12 HG21 ' A' ' 41' ' ' ILE . 4.1 tt -127.52 136.12 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' D' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.6 t -143.68 112.39 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.403 ' CE1' ' HB ' ' D' ' 36' ' ' VAL . 0.3 OUTLIER -124.84 139.41 53.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.551 ' CE1' ' CD2' ' B' ' 20' ' ' PHE . 0.3 OUTLIER -141.38 111.58 6.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.23 101.18 7.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -115.47 118.73 34.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.451 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 63.3 t0 -112.3 109.25 18.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.618 ' HB ' HG22 ' D' ' 24' ' ' VAL . 72.7 t -92.23 87.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.88 144.72 17.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -133.92 94.94 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' C' ' 26' ' ' SER . 21.1 t-20 84.2 90.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.446 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 88.1 mttt -97.35 132.78 42.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.675 ' O ' ' HB2' ' C' ' 30' ' ' ALA . . . -148.74 82.48 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' C' ' 29' ' ' GLY . . . 165.22 -109.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.414 ' O ' HG23 ' D' ' 32' ' ' ILE . 12.4 mt -138.77 148.26 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.633 ' C ' HD13 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -152.9 99.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.426 ' N ' HD13 ' C' ' 32' ' ' ILE . . . -89.96 125.81 8.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 99.26 7.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.03 122.07 39.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.694 HG12 HG22 ' D' ' 36' ' ' VAL . 11.6 m -129.8 116.05 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -93.89 122.79 7.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.4 81.12 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 1.114 ' CG2' HG13 ' D' ' 39' ' ' VAL . 1.3 m -113.46 129.77 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.32 115.25 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.886 HG23 HG13 ' D' ' 41' ' ' ILE . 6.0 tt -119.09 128.35 75.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.255 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.467 ' HB3' HD22 ' C' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.413 ' HB ' HG22 ' E' ' 18' ' ' VAL . 65.8 t -106.91 115.88 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' E' ' 36' ' ' VAL . 0.5 OUTLIER -124.36 116.92 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 111.049 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.0 119.72 35.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.66 117.78 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.17 139.47 53.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.452 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 53.9 t0 -139.19 129.34 25.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.621 ' HB ' HG22 ' E' ' 24' ' ' VAL . 65.5 t -117.81 106.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.75 98.91 0.94 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 2.8 t -86.39 111.56 20.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.066 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' D' ' 26' ' ' SER . 28.2 t30 76.64 43.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 22.9 mtpt -55.28 156.65 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.35 57.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 1.006 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -158.49 -157.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 62.8 mt -99.66 107.53 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.572 HD12 ' N ' ' D' ' 33' ' ' GLY . 0.1 OUTLIER -111.8 127.02 69.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.572 ' N ' HD12 ' D' ' 32' ' ' ILE . . . -119.99 100.69 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.93 95.47 10.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.22 121.5 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.765 HG12 ' CG2' ' E' ' 36' ' ' VAL . 21.0 m -126.43 103.06 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . -81.52 110.53 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' C' ' 37' ' ' GLY . . . -120.09 94.76 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 1.114 HG13 ' CG2' ' C' ' 39' ' ' VAL . 15.5 t -125.35 142.06 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 0.736 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.626 HG23 HG13 ' E' ' 40' ' ' VAL . 2.6 p -145.46 120.89 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.886 HG13 HG23 ' C' ' 41' ' ' ILE . 19.9 tt -122.84 135.73 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.413 HG22 ' HB ' ' D' ' 18' ' ' VAL . 18.8 t -116.84 113.12 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.6 149.97 41.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -154.23 90.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.31 139.92 30.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.45 94.07 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -99.62 133.32 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.621 HG22 ' HB ' ' D' ' 24' ' ' VAL . 76.3 t -131.17 103.19 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.2 153.22 16.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.3 OUTLIER -120.7 142.58 49.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' E' ' 26' ' ' SER . 1.0 OUTLIER 80.8 -52.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.452 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 66.5 mttt 39.81 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.779 ' HA2' ' HB2' ' D' ' 30' ' ' ALA . . . -130.72 35.51 2.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.095 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 1.006 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -130.87 -138.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 70.5 mt -123.71 128.41 74.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.552 HG23 ' HA ' ' D' ' 32' ' ' ILE . 4.0 tt -140.91 139.61 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.91 100.36 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.563 HD23 HG13 ' E' ' 36' ' ' VAL . 0.3 OUTLIER -74.5 79.93 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -95.47 100.51 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.765 ' CG2' HG12 ' D' ' 36' ' ' VAL . 28.5 m -107.28 127.03 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.84 120.45 5.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' D' ' 37' ' ' GLY . . . -133.87 68.43 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.521 HG13 ' HB ' ' D' ' 39' ' ' VAL . 45.7 t -116.28 125.91 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.626 HG13 HG23 ' D' ' 40' ' ' VAL . 9.7 p -121.55 129.0 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.724 HD12 HG21 ' D' ' 41' ' ' ILE . 1.5 tt -124.45 112.03 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.946 HG13 HG23 ' B' ' 18' ' ' VAL . 5.8 p -93.32 126.38 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.51 142.55 47.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CD2' ' CE2' ' B' ' 20' ' ' PHE . 0.4 OUTLIER -125.49 93.09 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.98 109.53 21.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -139.45 141.15 37.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 17.1 t0 -137.09 110.19 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.76 98.34 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.44 77.79 0.65 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' N ' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -75.71 104.43 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.0 t30 71.32 76.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -84.4 -169.73 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.234 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 148.37 172.24 18.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . 71.04 -152.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.337 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mt -84.35 130.85 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.552 HD12 HG21 ' B' ' 32' ' ' ILE . 2.3 tt -147.36 125.13 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.95 103.72 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.595 HD12 ' N ' ' A' ' 35' ' ' MET . 0.1 OUTLIER -102.27 147.52 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.595 ' N ' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -152.95 142.89 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.468 HG23 ' CG1' ' B' ' 36' ' ' VAL . 0.2 OUTLIER -145.01 115.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.73 114.91 4.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.71 118.01 3.95 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.73 134.96 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.646 HG23 HG13 ' B' ' 40' ' ' VAL . 4.2 p -138.5 136.14 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.493 HG23 ' HB ' ' B' ' 41' ' ' ILE . 0.8 OUTLIER -142.31 108.47 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.761 HD22 ' HB2' ' C' ' 17' ' ' LEU . 6.4 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.946 HG23 HG13 ' A' ' 18' ' ' VAL . 10.1 p -140.49 123.76 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.529 ' CZ ' ' HA3' ' D' ' 38' ' ' GLY . 0.3 OUTLIER -123.18 106.77 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.422 ' CE2' ' CD2' ' A' ' 20' ' ' PHE . 2.2 m-85 -93.71 140.78 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.38 96.5 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.436 ' HB2' ' CG ' ' C' ' 22' ' ' GLU . 11.2 mt-10 -120.07 139.62 52.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.444 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 4.9 t0 -137.96 121.07 16.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.756 ' CG2' HG12 ' C' ' 24' ' ' VAL . 2.3 t -92.6 105.79 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.83 86.01 0.47 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.1 OUTLIER -85.0 99.86 11.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' B' ' 26' ' ' SER . 0.9 OUTLIER 80.2 92.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 0.2 OUTLIER -105.69 158.45 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.4 -174.5 44.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.67 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . 63.11 -122.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mt -106.67 130.51 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.552 HG21 HD12 ' A' ' 32' ' ' ILE . 1.5 mp -127.93 135.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' C' ' 32' ' ' ILE . . . -148.65 122.81 1.55 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.732 HD12 ' N ' ' B' ' 35' ' ' MET . 0.1 OUTLIER -135.41 128.65 31.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.732 ' N ' HD12 ' B' ' 34' ' ' LEU . 3.0 mtp -129.89 135.02 47.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 36' ' ' VAL . 2.0 t -123.18 146.85 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.86 115.78 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.15 88.81 0.32 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -110.81 126.13 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.756 HG23 HG13 ' C' ' 40' ' ' VAL . 7.1 p -134.7 124.64 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.667 HG23 ' CG1' ' C' ' 41' ' ' ILE . 0.5 OUTLIER -131.47 113.15 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.578 ' HA ' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.761 ' HB2' HD22 ' B' ' 17' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 1.067 ' CG1' HG22 ' D' ' 18' ' ' VAL . 4.3 p -128.32 94.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.743 ' CE2' ' CD2' ' D' ' 19' ' ' PHE . 0.4 OUTLIER -93.99 138.08 32.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.06 113.22 14.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.53 91.81 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 0.436 ' CG ' ' HB2' ' B' ' 22' ' ' GLU . 2.5 mt-10 -115.78 123.69 48.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.447 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 18.4 t0 -132.14 106.42 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.756 HG12 ' CG2' ' B' ' 24' ' ' VAL . 18.0 m -90.47 118.17 35.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.69 118.41 4.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 21.9 t -102.36 106.14 16.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' C' ' 26' ' ' SER . 19.5 t30 82.83 70.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.444 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 24.9 mttt -83.88 161.32 20.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' C' ' 30' ' ' ALA . . . 169.46 -172.01 43.38 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.508 ' HB3' ' N ' ' D' ' 30' ' ' ALA . . . 67.82 -94.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.409 ' O ' ' O ' ' D' ' 30' ' ' ALA . 3.4 mp -138.72 119.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.549 ' N ' HD12 ' C' ' 32' ' ' ILE . 4.1 mp -115.95 104.63 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.39 115.85 3.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.417 HD23 ' HB2' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -128.82 128.86 44.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mtt -130.21 126.28 37.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.12 123.81 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.95 132.51 9.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.81 87.21 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -106.49 122.55 60.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 0.777 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.756 HG13 HG23 ' B' ' 40' ' ' VAL . 7.4 p -129.93 124.95 59.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.667 ' CG1' HG23 ' B' ' 41' ' ' ILE . 0.0 OUTLIER -122.18 124.03 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.512 HD23 HD11 ' C' ' 17' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 1.067 HG22 ' CG1' ' C' ' 18' ' ' VAL . 54.9 t -115.32 115.71 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.743 ' CD2' ' CE2' ' C' ' 19' ' ' PHE . 0.3 OUTLIER -109.17 87.68 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 111.04 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.601 ' CD2' ' CE1' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -91.65 106.13 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.72 102.24 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.81 138.49 52.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.424 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 37.1 t0 -146.36 142.9 28.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.751 HG22 ' HA ' ' E' ' 24' ' ' VAL . 10.1 m -127.5 144.55 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.31 105.69 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.5 OUTLIER -86.2 106.89 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.997 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' D' ' 26' ' ' SER . 4.5 t-20 82.68 63.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.447 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 43.1 mttt -72.34 178.6 3.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.581 ' O ' ' HB2' ' D' ' 30' ' ' ALA . . . 135.5 94.18 0.44 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 1.053 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . 171.25 -158.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.42 83.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.46 HD12 HG13 ' C' ' 32' ' ' ILE . 24.3 mt -83.43 122.45 37.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.37 88.18 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.716 ' C ' HD12 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -102.89 126.16 49.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.658 ' N ' HD12 ' D' ' 34' ' ' LEU . 8.2 ttt -134.38 124.87 26.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.28 119.24 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.71 89.92 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' CZ ' ' B' ' 19' ' ' PHE . . . -92.49 79.32 1.17 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -104.6 134.76 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.513 HG23 HG12 ' E' ' 40' ' ' VAL . 0.4 OUTLIER -148.71 109.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.661 HG23 HG22 ' C' ' 41' ' ' ILE . 14.5 mt -113.43 119.37 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' E' ' 17' ' ' LEU . 11.6 tp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 78.1 t -117.54 137.56 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.448 ' CE1' ' CE1' ' D' ' 19' ' ' PHE . 40.4 t80 -135.87 105.91 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' CD2' ' D' ' 20' ' ' PHE . 1.1 t80 -107.24 139.34 41.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' D' ' 20' ' ' PHE . . . -145.52 107.0 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -120.43 113.28 20.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.57 134.51 55.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.751 ' HA ' HG22 ' D' ' 24' ' ' VAL . 8.6 m -123.16 127.08 74.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.47 119.14 2.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.1 OUTLIER -98.42 115.11 27.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' E' ' 26' ' ' SER . 9.4 t-20 81.64 53.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.424 ' NZ ' ' OD1' ' D' ' 23' ' ' ASP . 41.5 mttt -65.01 143.42 57.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.47 -169.96 39.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 1.053 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . 59.5 -95.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mm -121.88 140.91 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.451 ' O ' HG22 ' E' ' 32' ' ' ILE . 75.3 mt -140.19 67.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.61 133.82 11.46 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 pp -148.62 111.31 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.6 mtt -111.07 113.79 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.09 120.56 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.26 124.84 8.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.85 70.84 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 83.2 t -92.1 135.63 26.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.753 ' O ' HG12 ' E' ' 40' ' ' VAL . 2.5 t -139.62 80.62 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 66.0 mt -99.33 92.1 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' B' ' 19' ' ' PHE . 79.0 t -106.77 102.19 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.25 124.55 48.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -133.68 134.59 43.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.04 121.14 12.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -133.26 131.85 40.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.443 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 16.5 t0 -116.46 98.04 6.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 t -82.84 104.63 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.482 ' HA3' ' CE ' ' B' ' 28' ' ' LYS . . . -114.69 100.53 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 23.4 m -74.34 73.19 1.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 72.11 -171.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HB3' ' N ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER 58.38 165.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.37 83.47 0.53 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' B' ' 30' ' ' ALA . . . -59.63 -66.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mt -121.69 110.66 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.617 ' HA ' HG23 ' B' ' 32' ' ' ILE . 7.1 tt -114.07 113.34 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.52 85.8 0.57 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.486 HD11 HD22 ' B' ' 34' ' ' LEU . 0.5 OUTLIER -86.46 131.07 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.6 mtp -145.31 135.06 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.86 112.97 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.89 133.97 11.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.48 144.07 14.34 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.528 HG13 ' HA ' ' B' ' 39' ' ' VAL . 2.8 p -154.88 131.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.8 t -130.99 134.84 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.401 HG23 HG13 ' B' ' 41' ' ' ILE . 4.5 tt -141.73 96.14 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.482 ' HG ' ' CB ' ' C' ' 17' ' ' LEU . 7.2 mp . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' C' ' 17' ' ' LEU . 54.6 t -81.53 125.92 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -127.37 93.37 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.19 108.94 20.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.36 103.04 10.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -116.04 133.4 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.579 ' CG ' ' HZ1' ' C' ' 28' ' ' LYS . 27.2 t0 -122.1 92.07 3.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.752 ' O ' HG12 ' B' ' 24' ' ' VAL . 2.9 t -79.5 77.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.68 110.12 3.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' C' ' 27' ' ' ASN . 6.4 t -85.27 106.14 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 109.951 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 26' ' ' SER . 2.3 m-80 66.93 94.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.501 ' HG2' HD13 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -50.23 -178.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.437 ' N ' ' HB2' ' C' ' 28' ' ' LYS . . . -120.1 -145.26 7.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -62.51 -84.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -106.02 145.8 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.617 HG23 ' HA ' ' A' ' 32' ' ' ILE . 7.1 tt -148.27 120.47 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.09 128.04 8.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.486 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -128.17 113.12 15.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mtm -128.45 118.36 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.69 96.36 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.64 103.25 2.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.39 106.99 1.97 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.901 ' CG1' HG22 ' C' ' 39' ' ' VAL . 0.2 OUTLIER -113.24 127.57 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 94.1 t -123.74 135.56 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' C' ' 41' ' ' ILE . 4.7 tt -142.53 130.52 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.482 ' CB ' ' HG ' ' B' ' 17' ' ' LEU . 2.0 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 54.7 t -103.15 93.52 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.13 92.42 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.03 133.08 44.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.51 100.58 3.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -114.82 125.15 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -120.64 99.02 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.586 HG13 ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -100.71 91.5 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.13 136.7 12.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -88.68 129.05 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.944 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' B' ' 26' ' ' SER . 6.3 m-80 53.59 89.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.579 ' HZ1' ' CG ' ' B' ' 23' ' ' ASP . 9.3 mmtt -43.69 167.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.68 -175.99 38.43 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' D' ' 30' ' ' ALA . . . -48.18 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.448 ' HB ' HG23 ' D' ' 31' ' ' ILE . 2.7 mp -113.73 107.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.636 HD13 ' N ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -112.17 111.43 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.636 ' N ' HD13 ' C' ' 32' ' ' ILE . . . -106.24 134.16 11.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 tt -130.39 99.59 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mtp -113.29 118.79 35.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 70.3 t -107.85 115.78 49.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.09 97.68 1.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.44 96.06 1.45 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.901 HG22 ' CG1' ' B' ' 39' ' ' VAL . 81.6 t -105.85 123.36 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.78 109.19 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.606 ' HA ' HG23 ' B' ' 41' ' ' ILE . 0.4 OUTLIER -116.26 114.04 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.548 ' HA ' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.475 HD13 HD22 ' E' ' 17' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.55 ' O ' HG12 ' D' ' 18' ' ' VAL . 2.9 t -124.37 92.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -97.97 90.19 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.73 108.01 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.547 ' HA ' ' HB3' ' E' ' 21' ' ' ALA . . . -110.32 92.4 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -105.03 114.84 29.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.97 125.22 41.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.586 ' HB ' HG13 ' C' ' 24' ' ' VAL . 0.2 OUTLIER -113.99 140.78 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.51 146.96 18.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -119.64 95.8 4.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.034 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' D' ' 26' ' ' SER . 0.3 OUTLIER 77.78 84.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -78.33 154.03 31.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' D' ' 30' ' ' ALA . . . -153.66 -167.84 16.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.799 ' O ' ' HB3' ' C' ' 30' ' ' ALA . . . 36.44 -143.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.448 HG23 ' HB ' ' C' ' 31' ' ' ILE . 3.1 mt -105.68 137.55 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.504 HG23 HG12 ' C' ' 32' ' ' ILE . 0.9 OUTLIER -136.81 103.23 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.13 135.18 12.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.29 102.9 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.738 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.33 108.58 16.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 1.061 HG22 ' CG1' ' E' ' 36' ' ' VAL . 38.9 t -106.07 111.44 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.6 155.56 20.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.23 76.78 0.23 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 71.0 t -92.41 110.21 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.623 HG22 ' CG1' ' E' ' 40' ' ' VAL . 47.8 t -118.43 112.82 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.481 ' CG1' HG23 ' C' ' 41' ' ' ILE . 26.8 mt -109.96 112.99 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.548 ' HB3' ' HA ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.475 HD22 HD13 ' D' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -101.62 122.66 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.66 119.27 28.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.87 115.98 20.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' D' ' 21' ' ' ALA . . . -115.88 93.49 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.35 99.01 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -123.18 143.36 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.524 HG12 ' CG1' ' D' ' 24' ' ' VAL . 0.7 OUTLIER -131.69 121.34 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.66 133.45 11.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.3 103.46 15.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.46 86.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.18 136.64 33.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.72 -163.7 10.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.516 ' N ' ' CB ' ' D' ' 30' ' ' ALA . . . 51.06 -155.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.01 94.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -105.36 125.06 60.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.83 118.81 4.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.416 HD23 ' C ' ' E' ' 34' ' ' LEU . 8.5 tt -98.93 97.73 8.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.2 tpp -99.94 119.05 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 1.061 ' CG1' HG22 ' D' ' 36' ' ' VAL . 2.8 p -133.93 77.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.35 108.64 3.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.42 123.09 6.0 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 80.4 t -120.1 122.51 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.623 ' CG1' HG22 ' D' ' 40' ' ' VAL . 0.1 OUTLIER -141.11 114.21 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -113.32 137.5 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -102.3 110.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.98 132.34 55.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -136.45 134.68 37.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.79 116.32 10.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.45 141.49 46.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 11.4 t0 -139.78 114.86 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 25' ' ' GLY . 6.9 t -80.99 116.84 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.51 84.11 0.36 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 25.6 m -82.08 87.81 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 26' ' ' SER . 8.8 t30 78.82 45.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.65 177.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.687 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 178.62 171.56 42.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 83.54 -158.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.485 HG23 ' HA ' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -95.86 129.16 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -139.78 100.9 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.97 136.75 16.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.5 95.54 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.41 120.33 41.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.791 HG23 ' CG1' ' B' ' 36' ' ' VAL . 9.8 p -119.54 125.54 74.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.89 113.07 1.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.4 125.54 8.6 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' B' ' 40' ' ' VAL . 61.2 t -131.09 86.71 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.777 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.4 t -111.87 109.29 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mt -116.02 113.55 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.974 HD11 HD23 ' C' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -137.24 102.63 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -106.3 105.59 15.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.27 125.88 54.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.35 97.87 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -107.59 144.84 34.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 28.1 t0 -140.97 113.82 8.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.93 102.54 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' VAL . . . -103.32 110.59 3.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.418 ' O ' ' N ' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -105.62 110.64 23.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.975 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 t30 53.82 52.02 13.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.448 ' NZ ' ' OD1' ' A' ' 23' ' ' ASP . 13.4 ptmt -81.69 158.22 24.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' B' ' 30' ' ' ALA . . . -175.91 101.61 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 1.057 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . 177.72 -179.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.485 ' HA ' HG23 ' A' ' 31' ' ' ILE . 1.9 tt -87.53 96.52 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.806 HD12 HG21 ' C' ' 32' ' ' ILE . 1.5 tt -107.05 144.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.92 107.18 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.646 ' CD2' HD12 ' C' ' 34' ' ' LEU . 1.7 mt -98.78 124.78 43.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.9 mtm -134.65 96.63 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.791 ' CG1' HG23 ' A' ' 36' ' ' VAL . 8.9 p -100.61 116.28 43.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.85 112.73 2.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.09 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.03 96.01 1.24 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.2 t -97.4 134.51 35.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' VAL . 89.7 t -150.25 105.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 mt -115.54 92.43 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.974 HD23 HD11 ' B' ' 17' ' ' LEU . 2.4 tp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t -106.74 93.44 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -97.01 114.13 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.497 ' CG ' ' CZ ' ' D' ' 20' ' ' PHE . 0.5 OUTLIER -121.81 142.37 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.96 124.37 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -131.29 124.13 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.434 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 1.5 t70 -120.27 119.95 34.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 75.3 t -100.68 118.73 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.77 119.24 4.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.419 ' O ' ' N ' ' D' ' 27' ' ' ASN . 0.3 OUTLIER -104.1 92.39 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.973 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' B' ' 26' ' ' SER . 1.6 t30 73.91 69.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' B' ' 23' ' ' ASP . 12.1 mtpt -75.3 158.64 32.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.679 ' HA2' ' HB2' ' B' ' 30' ' ' ALA . . . -164.96 -178.46 38.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 1.057 ' O ' ' HB1' ' B' ' 30' ' ' ALA . . . 68.4 -124.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.475 HG12 ' CG2' ' B' ' 31' ' ' ILE . 8.2 mt -123.69 147.12 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.806 HG21 HD12 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -139.44 136.28 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' D' ' 32' ' ' ILE . . . -116.63 97.73 0.77 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.646 HD12 ' CD2' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -98.32 91.6 5.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 7.0 mtp -110.25 111.66 23.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.752 HG13 ' HA ' ' B' ' 36' ' ' VAL . 10.7 p -125.78 130.89 72.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.14 152.48 24.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.14 110.78 0.47 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.585 HG13 HG23 ' D' ' 39' ' ' VAL . 0.9 OUTLIER -114.74 123.37 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 84.5 t -121.42 110.47 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 38.7 mt -107.3 113.34 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.736 HD22 HD13 ' C' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 43.3 t -144.59 93.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.469 ' CE1' ' CG2' ' E' ' 36' ' ' VAL . 3.1 t80 -104.85 100.46 10.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.497 ' CZ ' ' CG ' ' C' ' 20' ' ' PHE . 0.6 OUTLIER -109.92 110.23 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.73 100.52 10.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -106.17 128.42 53.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 13.4 t0 -137.25 124.51 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.37 116.68 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.01 120.21 4.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -101.81 98.42 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.006 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' C' ' 26' ' ' SER . 0.9 OUTLIER 76.61 89.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.434 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 37.8 mttt -92.16 174.06 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.449 ' HA2' ' HB3' ' C' ' 30' ' ' ALA . . . 179.82 -164.62 32.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.546 ' N ' ' CB ' ' C' ' 30' ' ' ALA . . . 56.97 -122.75 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.85 107.64 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.735 HD13 HD12 ' E' ' 32' ' ' ILE . 5.4 mm -91.01 128.53 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' E' ' 34' ' ' LEU . . . -112.58 98.32 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.582 HD21 HD13 ' E' ' 34' ' ' LEU . 0.2 OUTLIER -104.59 103.2 12.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.99 96.69 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.723 ' HA ' HG13 ' E' ' 36' ' ' VAL . 2.7 p -115.79 105.09 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.93 151.4 18.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.569 1.168 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.78 98.57 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.625 HG13 HG23 ' E' ' 39' ' ' VAL . 12.3 p -109.1 130.25 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.632 HG21 ' CD2' ' C' ' 17' ' ' LEU . 79.2 t -137.54 125.61 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 47.5 mt -118.23 121.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 42.3 t -98.23 98.69 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -110.78 88.48 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.83 117.59 35.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.03 125.59 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -133.57 109.86 9.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.52 141.22 51.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -122.26 121.81 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.91 126.52 5.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.34 117.2 33.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 64.32 79.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.457 ' HE2' HD13 ' E' ' 32' ' ' ILE . 15.3 mtpt -87.42 167.82 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.5 -156.5 17.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.431 ' N ' ' CB ' ' D' ' 30' ' ' ALA . . . 57.19 -156.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.372 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.69 90.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.735 HD12 HD13 ' D' ' 32' ' ' ILE . 30.5 mt -77.07 136.94 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.87 70.66 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.582 HD13 HD21 ' D' ' 34' ' ' LEU . 0.7 OUTLIER -73.91 89.4 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.73 124.4 39.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.723 HG13 ' HA ' ' D' ' 36' ' ' VAL . 3.1 p -147.69 91.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.95 109.41 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.72 94.65 1.82 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.625 HG23 HG13 ' D' ' 39' ' ' VAL . 9.2 p -101.26 121.21 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.574 ' HB ' HG22 ' D' ' 40' ' ' VAL . 41.2 t -134.76 102.3 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mt -103.16 127.73 56.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.026 ' CG1' HG22 ' B' ' 18' ' ' VAL . 2.3 p -163.12 120.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.5 141.11 39.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.716 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 38.0 m-85 -132.76 96.57 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.68 130.38 55.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -149.26 148.97 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -120.56 93.39 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.798 ' CG1' HG23 ' B' ' 24' ' ' VAL . 63.2 t -79.96 68.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.71 134.55 12.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -113.26 102.1 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.041 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.51 76.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -113.91 -175.18 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 164.57 -159.2 32.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . 69.24 -168.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 31' ' ' ILE . 1.2 tt -80.15 90.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 9.2 pt -108.95 132.78 56.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.77 125.94 8.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -126.84 73.4 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.9 ttm -93.31 129.47 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.56 110.54 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.54 113.32 4.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.15 90.1 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 38' ' ' GLY . 61.5 t -99.5 118.54 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.1 t -132.55 101.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 mt -96.19 111.94 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.552 HD11 HG21 ' D' ' 40' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 1.026 HG22 ' CG1' ' A' ' 18' ' ' VAL . 58.9 t -103.57 145.87 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.84 103.38 5.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.716 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -102.58 129.41 49.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.04 90.83 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -107.76 118.65 37.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -112.07 102.36 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.798 HG23 ' CG1' ' A' ' 24' ' ' VAL . 12.8 p -106.02 128.75 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.421 ' HA3' ' CE ' ' C' ' 28' ' ' LYS . . . -145.63 138.37 7.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -93.65 93.4 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.8 t30 78.48 108.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -146.72 124.39 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.24 -135.65 3.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.776 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . 62.79 -101.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.58 124.25 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.467 HG12 ' CG2' ' C' ' 32' ' ' ILE . 18.1 mt -122.04 150.56 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' C' ' 32' ' ' ILE . . . -139.13 79.11 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -90.06 119.78 30.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttp -130.06 110.12 11.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.58 119.06 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.96 128.35 8.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 39' ' ' VAL . . . -131.56 89.4 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -102.38 111.1 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 1.013 HG22 ' CG1' ' C' ' 40' ' ' VAL . 92.5 t -121.63 132.28 71.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.484 HD12 HG12 ' C' ' 41' ' ' ILE . 32.1 mt -129.65 119.09 47.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.75 ' HG ' HD13 ' D' ' 17' ' ' LEU . 3.1 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.809 HG22 ' HB ' ' B' ' 18' ' ' VAL . 21.8 t -133.96 113.33 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.79 99.76 9.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.434 ' CD2' ' CE1' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -95.24 132.12 40.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' B' ' 20' ' ' PHE . . . -130.91 92.74 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -106.37 132.17 52.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.421 ' CG ' ' NZ ' ' D' ' 28' ' ' LYS . 18.3 t0 -132.0 106.7 8.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.795 HG13 HG23 ' D' ' 24' ' ' VAL . 9.4 p -102.79 110.17 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.94 153.57 17.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.34 94.15 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 73.5 62.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 25.8 pttt -98.61 113.03 24.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.42 -145.45 6.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' N ' ' D' ' 30' ' ' ALA . . . 61.36 -139.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 37.7 mt -101.88 111.07 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.467 ' CG2' HG12 ' B' ' 32' ' ' ILE . 0.5 OUTLIER -125.86 134.31 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 141.47 12.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.542 HD12 ' HB3' ' D' ' 34' ' ' LEU . 0.2 OUTLIER -132.12 133.65 44.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.96 103.53 5.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 32.0 t -96.31 93.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.69 91.32 1.62 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.97 88.33 0.78 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 88.0 t -106.65 125.08 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 1.013 ' CG1' HG22 ' B' ' 40' ' ' VAL . 1.9 p -141.14 116.1 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.559 HD12 ' CG2' ' D' ' 41' ' ' ILE . 20.4 mt -112.32 144.65 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.75 HD13 ' HG ' ' C' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.518 HG23 ' O ' ' D' ' 17' ' ' LEU . 80.4 t -157.59 105.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.765 ' CE1' ' CE1' ' E' ' 19' ' ' PHE . 2.3 t80 -116.69 99.64 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.496 ' CG ' ' CZ ' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -97.95 104.44 16.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.455 ' HB2' ' HE1' ' D' ' 19' ' ' PHE . . . -106.08 110.77 23.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -121.69 130.96 53.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.43 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 66.7 t0 -132.69 129.3 38.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.795 HG23 HG13 ' C' ' 24' ' ' VAL . 6.0 p -119.77 123.12 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.97 127.12 5.66 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -96.08 98.9 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.79 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' D' ' 26' ' ' SER . 10.5 t-20 76.32 36.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.421 ' NZ ' ' CG ' ' C' ' 23' ' ' ASP . 1.0 OUTLIER -76.08 95.54 3.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.8 -133.46 4.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.491 ' N ' ' HB3' ' C' ' 30' ' ' ALA . . . 52.52 -141.75 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.673 ' HB ' HD13 ' E' ' 31' ' ' ILE . 3.6 mp -98.92 91.51 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.423 HD13 ' C ' ' D' ' 32' ' ' ILE . 0.0 OUTLIER -113.44 139.81 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.27 122.6 2.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.782 HD12 ' N ' ' D' ' 35' ' ' MET . 0.4 OUTLIER -118.24 118.02 30.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.782 ' N ' HD12 ' D' ' 34' ' ' LEU . 7.1 ttt -121.27 147.03 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.922 HG13 ' CG2' ' E' ' 36' ' ' VAL . 3.5 t -124.46 107.19 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.2 83.85 1.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.23 94.21 1.3 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' E' ' 40' ' ' VAL . 20.0 t -113.39 127.02 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.578 HG23 ' CG1' ' E' ' 40' ' ' VAL . 0.7 OUTLIER -144.91 100.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.896 ' CG1' HG23 ' E' ' 41' ' ' ILE . 1.8 pt -112.72 135.55 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 78.3 t -106.77 125.34 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.765 ' CE1' ' CE1' ' D' ' 19' ' ' PHE . 1.1 t80 -134.22 136.05 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.496 ' CZ ' ' CG ' ' D' ' 20' ' ' PHE . 0.8 OUTLIER -138.29 121.62 17.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.514 ' HB2' ' CZ ' ' E' ' 19' ' ' PHE . . . -117.58 130.66 56.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.33 88.95 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.77 136.3 33.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.593 HG23 HG13 ' D' ' 24' ' ' VAL . 7.1 p -133.47 137.91 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.4 142.97 10.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.3 OUTLIER -104.6 115.63 30.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 0.781 . . . . 0.0 109.975 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.573 ' O ' ' C ' ' E' ' 28' ' ' LYS . 27.0 t30 87.32 -42.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' E' ' 27' ' ' ASN . 1.4 mtmt 26.57 60.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.83 -157.4 27.51 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 54.38 -140.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.747 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.673 HD13 ' HB ' ' D' ' 31' ' ' ILE . 4.1 mm -102.37 114.86 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.58 ' C ' HD13 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -137.67 118.42 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.68 111.66 1.99 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.769 HD21 ' HB2' ' D' ' 34' ' ' LEU . 0.4 OUTLIER -109.42 136.17 49.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' D' ' 35' ' ' MET . 14.9 ttt -144.24 134.6 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.922 ' CG2' HG13 ' D' ' 36' ' ' VAL . 12.6 m -103.11 144.96 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.79 124.69 7.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.27 68.01 0.5 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.463 HG12 HG13 ' E' ' 41' ' ' ILE . 39.6 t -86.5 138.03 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.705 ' O ' HG12 ' E' ' 40' ' ' VAL . 2.5 t -146.65 82.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.896 HG23 ' CG1' ' D' ' 41' ' ' ILE . 2.8 mt -107.13 101.64 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.606 ' HB2' HD11 ' B' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 17' ' ' LEU . 53.9 t -157.97 122.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.68 122.43 38.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 22' ' ' GLU . 38.9 t80 -122.28 113.82 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.17 100.33 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -123.52 139.32 54.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 29.0 t0 -139.95 122.76 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 1.5 m -100.64 114.34 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.4 ' CA ' ' HD2' ' B' ' 28' ' ' LYS . . . -116.21 94.25 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 t -80.43 124.84 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.802 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t30 53.89 80.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -178.76 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' O ' HD11 ' A' ' 32' ' ' ILE . . . 151.64 179.45 27.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.567 1.167 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 65.46 -165.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 109.205 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.843 HG23 ' HA ' ' B' ' 31' ' ' ILE . 7.5 tt -73.74 102.11 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.425 HD11 ' O ' ' A' ' 29' ' ' GLY . 29.7 mm -94.44 142.36 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' B' ' 32' ' ' ILE . . . -139.27 71.59 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.482 HD11 HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -98.01 86.56 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.4 mtt -90.19 103.58 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.5 t -106.15 124.87 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.34 124.5 3.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.44 126.1 6.51 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.2 t -132.25 93.82 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.969 HG22 ' CG1' ' B' ' 40' ' ' VAL . 75.2 t -114.7 125.48 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.585 1.178 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.3 mt -133.5 93.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 17' ' ' LEU . 2.8 pp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 49.8 t -130.54 144.55 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -138.0 99.84 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -101.78 132.03 47.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.76 120.04 12.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.21 134.13 37.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -133.61 115.37 14.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.238 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' C' ' 25' ' ' GLY . 90.6 t -98.41 113.92 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.57 100.37 0.83 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.23 127.43 35.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 0.814 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 57.92 62.25 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.44 ' NZ ' ' OD1' ' A' ' 23' ' ' ASP . 19.5 mttt -64.76 159.11 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.38 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.91 -179.09 44.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.09 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.452 ' CB ' ' N ' ' C' ' 30' ' ' ALA . . . 58.43 -157.59 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.843 ' HA ' HG23 ' A' ' 31' ' ' ILE . 13.7 mt -74.8 115.37 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' GLY . 4.0 mm -115.61 88.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.43 102.13 2.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.582 1.176 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.598 HD23 HG23 ' B' ' 36' ' ' VAL . 0.2 OUTLIER -122.18 130.56 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 0.712 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.56 104.17 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.598 HG23 HD23 ' B' ' 34' ' ' LEU . 93.7 t -106.36 106.68 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.86 120.13 4.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.77 78.51 0.24 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.78 105.58 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.969 ' CG1' HG22 ' A' ' 40' ' ' VAL . 1.8 p -136.86 116.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mt -128.66 122.47 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' B' ' 17' ' ' LEU . 2.4 tt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -149.36 129.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.55 114.9 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -118.63 118.81 32.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.23 98.04 4.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.94 122.01 42.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.42 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 6.9 t0 -127.79 117.76 22.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 t -100.17 104.1 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 24' ' ' VAL . . . -107.46 115.83 4.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -102.02 128.88 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.784 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 59.89 70.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -75.12 152.49 38.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.648 ' O ' HD11 ' C' ' 32' ' ' ILE . . . 179.31 -178.2 48.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . 63.23 -129.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mp -107.6 117.27 52.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.648 HD11 ' O ' ' C' ' 29' ' ' GLY . 18.1 mm -114.18 105.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.41 110.17 2.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.7 HD11 HD23 ' D' ' 34' ' ' LEU . 0.3 OUTLIER -129.02 119.68 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -115.29 95.06 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.504 HG22 ' CG1' ' D' ' 36' ' ' VAL . 59.2 t -100.11 91.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.365 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.31 122.82 6.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.8 100.92 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.423 ' CG1' HG23 ' D' ' 39' ' ' VAL . 2.8 t -106.16 125.33 61.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' B' ' 40' ' ' VAL . 2.5 p -152.76 111.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.46 130.52 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.527 HD21 HG11 ' E' ' 40' ' ' VAL . 1.2 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t -137.3 109.22 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -112.93 126.26 55.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -134.04 113.0 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.62 94.67 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -109.31 107.89 18.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.082 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.429 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 31.4 t70 -121.25 120.39 35.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.834 HG23 HG12 ' E' ' 24' ' ' VAL . 1.9 t -107.59 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.88 124.11 8.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -116.63 126.14 52.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.729 . . . . 0.0 110.006 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' D' ' 26' ' ' SER . 21.1 t30 84.23 44.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.42 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 73.6 mttt -61.02 157.1 16.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.8 -170.87 43.76 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.57 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . 61.95 -112.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 0.761 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -128.17 122.41 58.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.638 HG22 ' O ' ' D' ' 32' ' ' ILE . 1.2 mp -123.25 99.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.0 93.76 0.79 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.565 1.166 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.7 HD23 HD11 ' C' ' 34' ' ' LEU . 0.6 OUTLIER -110.04 108.25 18.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.569 ' N ' HD12 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -102.12 97.74 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.504 ' CG1' HG22 ' C' ' 36' ' ' VAL . 0.2 OUTLIER -105.88 104.76 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.12 155.15 17.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' C' ' 39' ' ' VAL . . . -151.97 95.13 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.9 ' CG1' HG22 ' E' ' 39' ' ' VAL . 0.4 OUTLIER -108.95 119.97 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.555 ' HB ' HG13 ' E' ' 40' ' ' VAL . 0.2 OUTLIER -133.84 119.98 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.465 HD12 HG12 ' E' ' 41' ' ' ILE . 22.5 mt -119.26 128.06 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 92.5 t -138.89 108.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -114.87 128.49 56.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.19 104.78 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.99 122.12 45.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.83 114.59 17.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -140.41 122.94 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.834 HG12 HG23 ' D' ' 24' ' ' VAL . 2.2 m -127.9 121.68 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.102 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.72 156.43 26.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.577 1.173 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.545 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.5 OUTLIER -128.82 71.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' E' ' 26' ' ' SER . 7.3 m-20 153.26 45.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 0.0 OUTLIER -73.1 148.11 44.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.385 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.6 -168.42 37.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' D' ' 30' ' ' ALA . . . 62.29 -147.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 0.732 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 mm -87.24 108.59 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.374 1.046 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.462 ' CG2' HG13 ' D' ' 32' ' ' ILE . 41.1 mm -110.55 77.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.13 103.99 2.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.507 HD11 HD22 ' D' ' 34' ' ' LEU . 0.7 OUTLIER -121.76 141.63 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.8 150.67 42.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.644 ' O ' HG22 ' E' ' 36' ' ' VAL . 0.2 OUTLIER -162.87 86.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.56 11.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.18 102.16 1.05 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.9 HG22 ' CG1' ' D' ' 39' ' ' VAL . 73.6 t -107.53 127.77 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.555 HG13 ' HB ' ' D' ' 40' ' ' VAL . 0.2 OUTLIER -152.85 101.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.465 HG12 HD12 ' D' ' 41' ' ' ILE . 3.5 mp -112.28 122.61 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.55 HD22 HD13 ' B' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.1 t -113.92 108.46 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.56 114.67 26.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CD1' ' CZ ' ' B' ' 20' ' ' PHE . 2.0 t80 -134.14 143.31 47.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.71 123.11 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -137.45 143.39 41.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -146.18 122.84 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.079 ' CG1' HG23 ' B' ' 24' ' ' VAL . 9.6 p -107.43 146.19 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.07 107.23 0.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 68.9 m -74.3 77.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.963 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 26' ' ' SER . 4.2 m120 84.39 99.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' CB ' ' HB2' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -130.17 -162.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 139.92 -139.54 9.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.32 -98.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.4 mt -134.12 102.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.692 ' C ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -125.85 128.4 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.674 ' N ' HD13 ' A' ' 32' ' ' ILE . . . -122.75 112.51 1.97 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 35' ' ' MET . 2.0 tp -100.39 128.3 46.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.699 ' N ' HD12 ' A' ' 34' ' ' LEU . 8.8 mtt -143.03 118.02 10.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.609 HG13 HD11 ' A' ' 34' ' ' LEU . 29.3 m -118.99 129.32 75.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.57 83.42 0.35 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.97 120.87 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.8 t -136.42 125.63 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.9 t -131.16 137.45 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.533 HG23 HG13 ' B' ' 41' ' ' ILE . 11.5 tt -158.07 154.58 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.55 HD13 HD22 ' A' ' 17' ' ' LEU . 7.4 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.464 HG23 ' C ' ' B' ' 17' ' ' LEU . 96.5 t -155.02 133.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -132.96 96.93 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.419 ' CZ ' ' CD1' ' A' ' 20' ' ' PHE . 1.2 t80 -118.83 134.46 55.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.04 105.59 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.47 129.81 55.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.454 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 35.1 t70 -126.56 97.75 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 1.135 ' CG1' HG22 ' C' ' 24' ' ' VAL . 12.4 p -96.07 119.32 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.24 134.03 8.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 15.1 m -100.51 100.56 11.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 0.736 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' B' ' 26' ' ' SER . 9.9 m-80 75.98 105.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.459 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 12.5 mttt -117.11 -164.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.6 -157.22 24.53 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.12 -95.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' C' ' 32' ' ' ILE . 83.2 mt -140.65 123.97 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.2 126.49 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.15 110.24 1.4 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tp -101.43 102.95 13.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mtm -120.63 120.58 36.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.792 HG12 ' CG2' ' C' ' 36' ' ' VAL . 23.4 m -117.55 133.74 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.18 100.1 0.76 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.32 89.12 0.54 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 75.5 t -111.21 106.39 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.0 t -112.59 113.37 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.54 HG23 ' HA ' ' C' ' 41' ' ' ILE . 15.1 tt -129.31 114.15 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.733 HD13 HD22 ' D' ' 17' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.471 ' HB ' HG22 ' D' ' 18' ' ' VAL . 22.6 t -94.18 100.52 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.3 121.95 45.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.6 130.9 28.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.04 109.55 10.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -116.79 123.94 48.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.448 ' OD2' ' NZ ' ' D' ' 28' ' ' LYS . 23.7 t70 -124.44 131.63 53.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 1.135 HG22 ' CG1' ' B' ' 24' ' ' VAL . 58.2 t -121.31 107.56 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.43 107.23 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.24 132.32 35.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 26' ' ' SER . 2.4 m120 59.98 55.04 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 9.8 mttt -67.27 153.75 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.62 ' N ' HD11 ' C' ' 32' ' ' ILE . . . 176.23 -170.06 42.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . 58.49 -147.07 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mp -78.19 113.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.62 HD11 ' N ' ' C' ' 29' ' ' GLY . 11.8 mt -117.35 83.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.61 101.62 2.79 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.58 HD11 HG13 ' C' ' 36' ' ' VAL . 3.0 tp -112.72 115.05 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 21.0 ttt -136.95 101.68 4.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.792 ' CG2' HG12 ' B' ' 36' ' ' VAL . 23.2 m -91.68 123.67 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.98 126.46 8.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.21 96.74 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -120.1 132.85 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 53.2 t -125.72 101.92 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.575 HG23 ' HA ' ' D' ' 41' ' ' ILE . 3.9 tt -117.65 108.12 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.733 HD22 HD13 ' C' ' 17' ' ' LEU . 3.8 mp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.471 HG22 ' HB ' ' C' ' 18' ' ' VAL . 72.8 t -132.65 129.4 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.447 ' CE1' HG13 ' E' ' 36' ' ' VAL . 4.4 t80 -131.31 99.27 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.19 133.03 53.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.59 106.82 8.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.3 137.1 52.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.41 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 27.0 t0 -141.57 108.58 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -103.88 105.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.67 131.58 9.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.445 ' O ' ' N ' ' E' ' 27' ' ' ASN . 0.4 OUTLIER -102.12 131.16 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.045 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 65.24 71.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.448 ' NZ ' ' OD2' ' C' ' 23' ' ' ASP . 16.4 mttt -88.98 131.51 35.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.444 ' N ' HD11 ' D' ' 32' ' ' ILE . . . -163.21 -155.21 8.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.631 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . 54.37 -101.22 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 34.7 mt -130.86 114.62 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.55 HG13 HD12 ' E' ' 32' ' ' ILE . 2.7 mp -111.56 99.41 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 115.04 4.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.672 HD13 HD21 ' E' ' 34' ' ' LEU . 1.7 tp -130.0 112.13 13.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.43 121.43 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.758 HG21 HG12 ' C' ' 36' ' ' VAL . 2.4 t -95.77 121.91 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . -107.38 82.54 0.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.3 76.13 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 73.8 t -108.67 140.31 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 66.4 t -135.31 109.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.708 HG21 HD12 ' E' ' 41' ' ' ILE . 2.9 tt -117.84 122.0 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.78 123.83 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -124.33 122.51 37.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -134.24 117.79 16.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.77 106.38 12.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.33 101.82 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.66 130.68 53.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 42.6 t -131.61 108.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.69 142.31 13.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.67 135.79 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' D' ' 26' ' ' SER . 0.8 OUTLIER 66.58 79.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.599 ' O ' HD11 ' E' ' 32' ' ' ILE . 5.5 mttt -102.29 52.93 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.11 60.68 0.7 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.01 -145.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.54 98.43 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.599 HD11 ' O ' ' E' ' 28' ' ' LYS . 5.1 mt -93.44 122.27 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.96 72.57 0.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.718 ' C ' HD12 ' E' ' 34' ' ' LEU . 0.1 OUTLIER -92.17 117.17 29.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.746 . . . . 0.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.7 mtm -127.14 120.39 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.447 HG13 ' CE1' ' D' ' 19' ' ' PHE . 95.7 t -87.81 102.46 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.0 75.73 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' D' ' 37' ' ' GLY . . . -108.05 70.27 0.21 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -112.62 126.08 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -123.27 113.15 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.708 HD12 HG21 ' D' ' 41' ' ' ILE . 2.1 tt -118.62 124.31 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.1 t -101.46 128.43 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -134.62 90.46 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 0.1 OUTLIER -82.07 130.84 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.78 82.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.27 127.65 56.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.445 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 30.5 t70 -112.01 90.86 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.3 t -76.23 104.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.05 98.33 0.6 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.2 m -78.34 95.41 5.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 0.778 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.3 t30 74.46 123.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' CB ' ' HB2' ' B' ' 28' ' ' LYS . 5.5 pttp -168.39 -163.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 28' ' ' LYS . . . 158.86 -133.73 3.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.65 -149.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.268 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 mt -82.41 118.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.797 ' C ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -126.91 119.64 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.732 ' N ' HD13 ' A' ' 32' ' ' ILE . . . -105.78 114.98 4.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -111.94 126.19 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.9 97.9 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.014 HG13 ' CG2' ' B' ' 36' ' ' VAL . 21.4 t -106.58 122.09 60.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.02 96.1 0.47 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.22 125.61 8.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.12 96.33 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.345 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 40' ' ' VAL . 7.7 m -115.06 103.21 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.6 mt -100.19 119.85 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -85.96 122.83 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -130.99 92.6 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.483 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -95.33 121.85 37.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.86 106.11 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -127.21 143.81 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 62.5 t0 -131.76 107.06 8.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 90.8 t -93.46 94.69 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.24 111.98 3.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 67.4 m -89.75 94.99 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' B' ' 26' ' ' SER . 7.9 t30 82.9 95.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 10.6 mttt -108.91 -174.21 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.96 -165.9 31.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.461 ' HB3' ' N ' ' C' ' 30' ' ' ALA . . . 61.26 -143.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.51 95.03 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.795 ' C ' HD13 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -107.19 121.36 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.763 ' N ' HD13 ' B' ' 32' ' ' ILE . . . -108.02 129.65 9.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.853 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -130.22 109.2 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.401 ' N ' HD13 ' B' ' 34' ' ' LEU . 50.0 mtp -137.0 134.45 36.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 1.014 ' CG2' HG13 ' A' ' 36' ' ' VAL . 7.5 m -131.77 146.95 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.26 113.19 0.79 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.28 83.87 0.35 Allowed Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.61 74.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.42 0.718 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.688 ' C ' HD12 ' B' ' 41' ' ' ILE . 3.5 m -98.19 137.26 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.688 HD12 ' C ' ' B' ' 40' ' ' VAL . 3.5 mp -128.11 138.09 55.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.727 ' HA ' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' D' ' 17' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.659 ' O ' HG12 ' C' ' 18' ' ' VAL . 5.0 t -130.79 80.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.39 122.23 33.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.16 122.12 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.37 109.87 12.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -125.3 112.42 16.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.412 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 31.1 t70 -103.12 99.6 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' D' ' 23' ' ' ASP . 61.6 t -92.48 92.77 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.32 132.61 10.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' D' ' 27' ' ' ASN . 19.2 m -109.29 116.74 32.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' B' ' 26' ' ' SER . 6.6 t-20 73.47 51.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.441 ' CE ' ' HD3' ' B' ' 28' ' ' LYS . 15.5 ttpt -76.24 167.52 21.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.42 -152.04 22.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.529 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . 63.69 -127.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mt -117.28 113.16 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.632 HG13 HG22 ' D' ' 32' ' ' ILE . 4.0 tt -124.41 139.74 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.78 83.13 0.35 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.085 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' D' ' 34' ' ' LEU . 0.2 OUTLIER -82.46 102.69 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtt -127.23 118.01 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.839 HG12 HG22 ' D' ' 36' ' ' VAL . 28.5 m -118.11 121.7 67.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.19 117.36 3.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.3 98.95 0.8 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 66.9 t -105.2 129.77 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.656 HG23 HG12 ' B' ' 40' ' ' VAL . 9.6 t -135.36 133.88 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mm -133.22 92.13 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.727 ' HB3' ' HA ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.522 ' HB3' HD13 ' C' ' 17' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.807 ' CG1' HG22 ' E' ' 18' ' ' VAL . 0.9 OUTLIER -147.27 118.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -113.55 132.98 55.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.3 118.68 25.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.79 84.53 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -101.83 121.45 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' C' ' 24' ' ' VAL . 28.0 t70 -119.81 122.03 40.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.653 ' CG1' HG23 ' E' ' 24' ' ' VAL . 4.3 t -115.36 82.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.53 121.07 6.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 73.4 m -96.4 115.65 27.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 0.768 . . . . 0.0 110.005 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' D' ' 26' ' ' SER . 1.9 t-20 78.58 72.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.412 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 20.2 mtpt -89.61 151.84 21.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.0 -160.51 26.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.529 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . 63.17 -107.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 59.3 mt -130.05 117.38 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.632 HG22 HG13 ' C' ' 32' ' ' ILE . 3.7 mt -112.87 139.64 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' E' ' 34' ' ' LEU . . . -135.23 111.78 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' C' ' 34' ' ' LEU . 0.3 OUTLIER -117.75 79.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.431 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.3 mtp -105.11 96.26 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.839 HG22 HG12 ' C' ' 36' ' ' VAL . 17.9 m -101.4 119.5 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.53 133.35 11.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.82 92.39 0.23 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -103.72 131.64 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.11 97.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.617 ' HB ' HG23 ' E' ' 41' ' ' ILE . 6.4 mm -97.98 116.57 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.807 HG22 ' CG1' ' D' ' 18' ' ' VAL . 83.1 t -107.72 108.55 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -99.66 86.48 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.48 125.49 34.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.63 80.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.01 115.57 27.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.56 141.25 52.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.653 HG23 ' CG1' ' D' ' 24' ' ' VAL . 1.9 p -148.0 108.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.38 155.16 25.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.81 151.43 23.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' D' ' 26' ' ' SER . 2.1 m-80 53.6 87.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.411 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 0.1 OUTLIER -110.65 108.81 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.06 -149.48 7.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.428 1.08 . . . . 0.0 110.995 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.83 -149.52 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 tt -103.29 93.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -74.29 93.52 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.95 71.47 2.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' D' ' 33' ' ' GLY . 0.2 OUTLIER -91.72 103.7 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' D' ' 35' ' ' MET . 2.3 ptm -147.11 146.74 30.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' D' ' 36' ' ' VAL . 8.4 m -127.76 145.62 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.75 91.99 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.59 67.88 0.93 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -89.32 96.85 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -106.37 123.78 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.617 HG23 ' HB ' ' D' ' 41' ' ' ILE . 15.0 mt -132.75 130.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.5 t -145.59 119.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -120.9 125.98 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.635 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 1.4 m-85 -126.28 76.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HA ' ' HB3' ' B' ' 21' ' ' ALA . . . -86.27 95.61 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.1 148.06 43.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.509 ' CG ' ' HZ1' ' B' ' 28' ' ' LYS . 26.8 t0 -137.64 93.57 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.9 t -79.37 84.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.11 126.75 8.87 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 p -109.86 101.97 10.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 0.727 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.83 114.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 3.8 pttt -168.64 -175.68 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.9 -127.07 2.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.48 -101.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.5 mt -130.06 106.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.622 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.2 mt -125.43 117.6 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.45 95.11 0.95 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.09 114.35 28.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttm -125.23 114.71 19.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.414 HG23 HG13 ' B' ' 36' ' ' VAL . 4.2 p -121.32 123.36 69.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.89 131.31 9.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.6 112.91 2.76 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.71 102.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.4 t -121.64 102.64 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.2 mt -102.21 83.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.5 t -129.96 118.34 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -121.99 93.34 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.635 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -95.7 136.59 35.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -140.11 84.22 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.408 ' OE2' ' CG2' ' B' ' 24' ' ' VAL . 11.0 tt0 -106.84 122.54 46.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.11 107.83 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.367 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.408 ' CG2' ' OE2' ' B' ' 22' ' ' GLU . 54.3 t -94.94 98.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.09 111.89 2.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 40.5 m -95.09 100.36 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.8 t30 76.99 55.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -104.08 -178.34 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.08 -130.42 4.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.95 -101.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mt -134.16 101.12 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.831 HG13 HG23 ' C' ' 32' ' ' ILE . 4.1 tt -116.81 147.27 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.27 86.43 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mp -92.92 133.13 36.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.5 ttt -144.72 100.8 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.76 HG23 ' CG1' ' C' ' 36' ' ' VAL . 2.3 p -112.23 138.07 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.23 133.08 6.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.446 1.091 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.91 92.56 0.56 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.728 HG12 HG23 ' C' ' 39' ' ' VAL . 2.5 t -94.26 135.34 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 86.7 t -148.03 127.91 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 57.4 mt -130.11 121.2 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.692 HD23 HD12 ' D' ' 17' ' ' LEU . 20.8 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.538 HG23 HG12 ' D' ' 18' ' ' VAL . 7.3 t -82.17 80.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.59 88.87 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.26 118.06 35.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.54 113.69 20.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -133.2 137.83 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.429 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 63.3 t0 -132.51 107.84 8.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.33 98.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.57 122.75 6.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.47 99.81 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.7 73.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 0.4 OUTLIER -118.46 110.22 17.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.96 -144.18 6.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.429 ' HB3' ' N ' ' D' ' 30' ' ' ALA . . . 55.4 -137.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.69 116.71 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.831 HG23 HG13 ' B' ' 32' ' ' ILE . 0.8 OUTLIER -132.35 127.48 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.14 146.38 18.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.657 HD23 ' C ' ' C' ' 34' ' ' LEU . 3.7 tt -153.11 119.44 5.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.595 ' N ' HD23 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -116.6 141.39 48.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.76 ' CG1' HG23 ' B' ' 36' ' ' VAL . 19.4 t -136.04 95.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.3 107.5 2.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.34 104.42 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.728 HG23 HG12 ' B' ' 39' ' ' VAL . 0.9 OUTLIER -117.55 135.06 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.39 118.28 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.362 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 8.6 mt -113.84 131.18 66.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.739 HD22 ' HG ' ' E' ' 17' ' ' LEU . 1.5 mm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.538 HG12 HG23 ' C' ' 18' ' ' VAL . 2.2 m -138.74 113.24 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -116.44 109.82 17.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.444 ' CG ' ' CZ ' ' E' ' 20' ' ' PHE . 0.3 OUTLIER -106.0 123.47 48.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.14 105.89 8.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.78 126.9 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.44 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 40.9 t0 -123.66 120.93 34.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 74.3 t -109.89 102.24 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.29 120.54 5.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.94 99.58 11.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 71.46 86.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 8.8 pttt -128.24 113.42 15.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.89 -141.66 4.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.429 ' N ' ' HB3' ' C' ' 30' ' ' ALA . . . 58.09 -100.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 78.1 mt -138.19 110.71 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.755 HG12 HG23 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -137.19 113.93 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.702 ' N ' HD13 ' D' ' 32' ' ' ILE . . . -121.44 130.63 8.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.71 132.45 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.08 132.95 56.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -128.05 96.58 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.12 124.63 8.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.5 103.13 0.49 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.686 HG13 HG23 ' E' ' 39' ' ' VAL . 1.3 p -116.88 131.87 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.525 HG21 HD13 ' C' ' 17' ' ' LEU . 76.1 t -134.0 135.51 54.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 mt -129.66 121.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.739 ' HG ' HD22 ' D' ' 17' ' ' LEU . 7.1 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -141.29 137.48 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -157.73 118.43 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.444 ' CZ ' ' CG ' ' D' ' 20' ' ' PHE . 1.3 m-85 -118.77 127.73 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.87 110.71 12.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -116.67 100.83 8.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -97.49 126.66 42.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -126.57 98.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.73 133.03 10.44 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -104.74 113.83 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 65.38 77.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.44 ' NZ ' ' OD1' ' D' ' 23' ' ' ASP . 21.0 pttt -119.46 98.08 5.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.11 -134.48 6.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 50.7 -145.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mt -102.14 98.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.755 HG23 HG12 ' D' ' 32' ' ' ILE . 0.0 OUTLIER -122.23 130.51 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.41 ' N ' HD13 ' E' ' 32' ' ' ILE . . . -133.54 127.41 4.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.055 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.87 124.63 43.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.7 tpp -106.47 131.24 53.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -125.69 95.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.68 137.73 13.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.45 1.094 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.5 99.39 0.24 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.686 HG23 HG13 ' D' ' 39' ' ' VAL . 12.2 p -111.61 134.32 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 69.3 t -138.53 131.84 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 7.0 mt -124.45 124.28 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -105.31 155.48 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.74 112.4 14.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CD2' ' CZ ' ' B' ' 20' ' ' PHE . 1.6 m-85 -108.45 77.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.35 128.67 52.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.96 152.29 24.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -132.03 102.47 5.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.06 124.22 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.84 106.29 1.01 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 27' ' ' ASN . 4.4 p -98.47 99.38 10.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t30 63.24 163.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 60.35 113.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.11 -50.31 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB3' ' N ' ' B' ' 30' ' ' ALA . . . 42.61 -146.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.53 106.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.879 HG12 HG23 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -129.72 142.56 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.553 ' N ' HD13 ' A' ' 32' ' ' ILE . . . -127.27 107.75 0.91 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.551 HD22 HD13 ' B' ' 34' ' ' LEU . 0.1 OUTLIER -102.17 92.25 4.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.297 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtt -105.51 118.34 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -125.6 140.89 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.65 114.9 1.89 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.43 114.66 4.33 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.723 ' HB ' HG13 ' B' ' 39' ' ' VAL . 12.7 t -126.33 91.81 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.4 t -100.79 102.86 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -116.53 113.75 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.778 ' HG ' HD13 ' C' ' 17' ' ' LEU . 1.2 mp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.928 HG22 HG13 ' C' ' 18' ' ' VAL . 3.6 m -140.09 151.61 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.33 102.05 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.482 ' CZ ' ' CD2' ' A' ' 20' ' ' PHE . 1.9 m-85 -103.55 125.03 49.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.33 82.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.425 ' CG ' ' HG3' ' C' ' 22' ' ' GLU . 14.1 pt-20 -106.01 142.13 36.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.439 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 19.5 t0 -128.43 100.79 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -80.91 82.11 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.91 107.1 3.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' C' ' 27' ' ' ASN . 28.8 t -100.22 111.07 23.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.8 m120 62.91 69.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -73.15 -95.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.55 176.2 48.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.465 ' N ' ' HB3' ' A' ' 30' ' ' ALA . . . 64.86 -144.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.85 116.89 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.879 HG23 HG12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -137.52 110.3 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.594 ' N ' HD13 ' B' ' 32' ' ' ILE . . . -99.68 145.06 17.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.551 HD13 HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -137.28 126.31 24.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -140.4 106.38 5.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.535 HG23 ' CG1' ' C' ' 36' ' ' VAL . 0.3 OUTLIER -117.75 125.21 73.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.19 111.95 3.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.45 93.06 0.8 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.723 HG13 ' HB ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -109.99 138.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 52.8 t -143.23 88.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.8 mt -97.39 120.55 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.933 HD23 HD13 ' D' ' 17' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.928 HG13 HG22 ' B' ' 18' ' ' VAL . 2.9 t -84.61 140.21 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.484 ' HA ' ' CB ' ' D' ' 19' ' ' PHE . 39.5 t80 -147.47 89.79 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.46 137.96 31.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.2 100.79 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' CG ' ' B' ' 22' ' ' GLU . 2.9 tt0 -117.12 132.68 56.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -123.38 106.08 10.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 38.2 t -95.31 102.52 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.01 112.79 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.09 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 0.5 OUTLIER -95.69 93.66 7.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' C' ' 26' ' ' SER . 8.0 t-20 80.03 67.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.439 ' NZ ' ' OD1' ' B' ' 23' ' ' ASP . 16.5 mtmt -64.81 -101.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.92 -171.84 53.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.575 1.172 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.435 ' CB ' ' N ' ' D' ' 30' ' ' ALA . . . 58.05 -142.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mt -106.24 114.06 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.732 HD11 HD12 ' C' ' 34' ' ' LEU . 0.1 OUTLIER -128.4 123.22 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.465 ' N ' HD12 ' C' ' 32' ' ' ILE . . . -112.32 124.53 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.732 HD12 HD11 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -116.49 113.58 23.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.05 100.37 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.535 ' CG1' HG23 ' B' ' 36' ' ' VAL . 2.1 t -100.03 107.04 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -100.97 102.14 2.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.35 93.66 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.893 ' CG2' HG13 ' D' ' 39' ' ' VAL . 1.0 OUTLIER -127.46 127.37 68.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.1 t -118.48 104.93 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 mt -105.69 109.88 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.933 HD13 HD23 ' C' ' 17' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -121.74 94.33 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.484 ' CB ' ' HA ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -83.32 135.08 34.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.41 ' CB ' ' HA ' ' E' ' 20' ' ' PHE . 0.7 OUTLIER -139.95 102.81 4.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.17 95.04 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.401 ' CG ' ' OE1' ' C' ' 22' ' ' GLU . 4.0 tt0 -108.11 119.54 39.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.451 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 31.9 t70 -116.48 116.73 28.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 37.8 t -110.46 90.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.95 116.31 4.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -92.21 95.69 9.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.963 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' D' ' 26' ' ' SER . 0.4 OUTLIER 78.39 76.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.412 ' CD ' ' HG2' ' C' ' 28' ' ' LYS . 27.8 mttt -67.25 -92.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.96 -161.26 50.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . 44.62 -144.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.12 111.31 34.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 tt -128.54 113.45 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.17 108.67 3.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.66 112.78 24.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.19 123.77 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.97 107.2 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.68 112.36 4.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' C' ' 37' ' ' GLY . . . -136.08 74.23 0.42 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.893 HG13 ' CG2' ' C' ' 39' ' ' VAL . 17.4 t -112.15 143.61 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -138.69 134.5 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -135.4 108.95 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -97.55 127.78 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.69 84.11 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.41 ' HA ' ' CB ' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -93.87 126.74 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.03 116.7 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -124.47 85.4 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -84.44 122.46 29.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -120.19 109.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.44 135.91 8.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.69 110.35 22.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.23 78.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.451 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 51.1 mttt -72.19 -81.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.402 ' C ' ' HB3' ' D' ' 30' ' ' ALA . . . 61.31 -154.26 38.0 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.493 1.12 . . . . 0.0 110.963 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.596 ' C ' HD13 ' E' ' 31' ' ' ILE . . . 47.17 -148.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.767 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.596 HD13 ' C ' ' E' ' 30' ' ' ALA . 1.4 mm -107.73 111.83 37.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.552 HD13 ' N ' ' E' ' 33' ' ' GLY . 0.0 OUTLIER -133.37 149.4 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.552 ' N ' HD13 ' E' ' 32' ' ' ILE . . . -146.74 123.51 1.8 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.52 133.24 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.34 121.81 19.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.34 100.98 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.59 88.98 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.29 68.73 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 92.9 t -113.37 129.37 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 48.6 t -122.92 114.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mm -113.5 97.12 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' B' ' 17' ' ' LEU . 21.1 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -149.41 121.01 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.34 109.24 10.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -107.7 121.42 44.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.14 77.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.17 133.09 34.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -130.23 82.56 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.72 115.65 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.15 94.16 0.35 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 1.1 t -80.59 89.73 5.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.3 t30 81.13 102.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 174.9 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.58 50.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' B' ' 30' ' ' ALA . . . -153.06 -171.94 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.9 mt -74.38 143.48 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.904 HD12 HG21 ' B' ' 32' ' ' ILE . 1.6 tt -141.19 111.32 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.13 112.08 3.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' B' ' 34' ' ' LEU . 0.7 OUTLIER -101.11 115.04 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.407 ' O ' ' HA ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -137.61 93.15 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.899 ' HA ' HG22 ' B' ' 36' ' ' VAL . 16.6 t -98.03 86.61 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.62 137.22 15.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.91 139.68 6.3 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.96 HG22 HG13 ' B' ' 39' ' ' VAL . 4.4 m -137.97 124.13 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.124 HG22 ' CG1' ' B' ' 40' ' ' VAL . 59.7 t -122.17 125.77 73.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.562 HG21 HD12 ' B' ' 41' ' ' ILE . 0.1 OUTLIER -146.48 107.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.555 ' HB3' HD22 ' A' ' 17' ' ' LEU . 1.4 tt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 t -113.04 128.92 69.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -137.84 99.1 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.551 ' CD2' ' CE1' ' C' ' 20' ' ' PHE . 0.6 OUTLIER -98.71 124.96 43.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.22 108.49 5.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.86 148.46 52.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 36.8 t0 -137.54 111.23 8.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.5 t -95.93 98.78 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.63 111.3 3.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -94.6 104.87 16.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 0.771 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.3 t-20 82.28 51.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -50.34 171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.405 ' O ' ' HA2' ' C' ' 29' ' ' GLY . . . 161.38 41.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -140.18 172.79 12.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.442 HG22 ' O ' ' B' ' 31' ' ' ILE . 7.4 mt -78.04 88.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.904 HG21 HD12 ' A' ' 32' ' ' ILE . 2.7 tt -82.74 119.95 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.53 85.84 0.4 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -74.5 119.36 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 0.725 . . . . 0.0 109.262 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -146.14 120.65 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.899 HG22 ' HA ' ' A' ' 36' ' ' VAL . 3.0 m -127.4 151.34 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.76 100.75 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.39 81.35 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.96 HG13 HG22 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -98.99 137.63 25.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 1.124 ' CG1' HG22 ' A' ' 40' ' ' VAL . 2.4 p -155.5 110.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.562 HD12 HG21 ' A' ' 41' ' ' ILE . 4.1 tt -127.52 136.12 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' D' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.6 t -143.68 112.39 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.403 ' CE1' ' HB ' ' D' ' 36' ' ' VAL . 0.3 OUTLIER -124.84 139.41 53.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.551 ' CE1' ' CD2' ' B' ' 20' ' ' PHE . 0.3 OUTLIER -141.38 111.58 6.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.23 101.18 7.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -115.47 118.73 34.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.451 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 63.3 t0 -112.3 109.25 18.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.618 ' HB ' HG22 ' D' ' 24' ' ' VAL . 72.7 t -92.23 87.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.88 144.72 17.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -133.92 94.94 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' C' ' 26' ' ' SER . 21.1 t-20 84.2 90.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.446 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 88.1 mttt -97.35 132.78 42.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.675 ' O ' ' HB2' ' C' ' 30' ' ' ALA . . . -148.74 82.48 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' C' ' 29' ' ' GLY . . . 165.22 -109.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.414 ' O ' HG23 ' D' ' 32' ' ' ILE . 12.4 mt -138.77 148.26 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.633 ' C ' HD13 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -152.9 99.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.426 ' N ' HD13 ' C' ' 32' ' ' ILE . . . -89.96 125.81 8.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 99.26 7.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.03 122.07 39.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.694 HG12 HG22 ' D' ' 36' ' ' VAL . 11.6 m -129.8 116.05 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -93.89 122.79 7.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.4 81.12 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 1.114 ' CG2' HG13 ' D' ' 39' ' ' VAL . 1.3 m -113.46 129.77 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.32 115.25 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.886 HG23 HG13 ' D' ' 41' ' ' ILE . 6.0 tt -119.09 128.35 75.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.255 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.467 ' HB3' HD22 ' C' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.413 ' HB ' HG22 ' E' ' 18' ' ' VAL . 65.8 t -106.91 115.88 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' E' ' 36' ' ' VAL . 0.5 OUTLIER -124.36 116.92 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 111.049 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.0 119.72 35.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.66 117.78 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.17 139.47 53.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.452 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 53.9 t0 -139.19 129.34 25.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.621 ' HB ' HG22 ' E' ' 24' ' ' VAL . 65.5 t -117.81 106.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.75 98.91 0.94 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 2.8 t -86.39 111.56 20.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.066 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' D' ' 26' ' ' SER . 28.2 t30 76.64 43.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 22.9 mtpt -55.28 156.65 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.35 57.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 1.006 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -158.49 -157.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 62.8 mt -99.66 107.53 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.572 HD12 ' N ' ' D' ' 33' ' ' GLY . 0.1 OUTLIER -111.8 127.02 69.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.572 ' N ' HD12 ' D' ' 32' ' ' ILE . . . -119.99 100.69 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.93 95.47 10.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.22 121.5 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.765 HG12 ' CG2' ' E' ' 36' ' ' VAL . 21.0 m -126.43 103.06 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . -81.52 110.53 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' C' ' 37' ' ' GLY . . . -120.09 94.76 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 1.114 HG13 ' CG2' ' C' ' 39' ' ' VAL . 15.5 t -125.35 142.06 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 0.736 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.626 HG23 HG13 ' E' ' 40' ' ' VAL . 2.6 p -145.46 120.89 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.886 HG13 HG23 ' C' ' 41' ' ' ILE . 19.9 tt -122.84 135.73 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.413 HG22 ' HB ' ' D' ' 18' ' ' VAL . 18.8 t -116.84 113.12 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.6 149.97 41.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -154.23 90.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.31 139.92 30.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.45 94.07 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -99.62 133.32 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.621 HG22 ' HB ' ' D' ' 24' ' ' VAL . 76.3 t -131.17 103.19 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -122.2 153.22 16.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.3 OUTLIER -120.7 142.58 49.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' E' ' 26' ' ' SER . 1.0 OUTLIER 80.8 -52.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.452 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 66.5 mttt 39.81 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.779 ' HA2' ' HB2' ' D' ' 30' ' ' ALA . . . -130.72 35.51 2.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.095 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 1.006 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -130.87 -138.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 70.5 mt -123.71 128.41 74.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.552 HG23 ' HA ' ' D' ' 32' ' ' ILE . 4.0 tt -140.91 139.61 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.91 100.36 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.563 HD23 HG13 ' E' ' 36' ' ' VAL . 0.3 OUTLIER -74.5 79.93 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -95.47 100.51 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.765 ' CG2' HG12 ' D' ' 36' ' ' VAL . 28.5 m -107.28 127.03 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.84 120.45 5.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' D' ' 37' ' ' GLY . . . -133.87 68.43 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.521 HG13 ' HB ' ' D' ' 39' ' ' VAL . 45.7 t -116.28 125.91 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.626 HG13 HG23 ' D' ' 40' ' ' VAL . 9.7 p -121.55 129.0 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.724 HD12 HG21 ' D' ' 41' ' ' ILE . 1.5 tt -124.45 112.03 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.946 HG13 HG23 ' B' ' 18' ' ' VAL . 5.8 p -93.32 126.38 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.51 142.55 47.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CD2' ' CE2' ' B' ' 20' ' ' PHE . 0.4 OUTLIER -125.49 93.09 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.98 109.53 21.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -139.45 141.15 37.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 17.1 t0 -137.09 110.19 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.76 98.34 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.44 77.79 0.65 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' N ' ' B' ' 27' ' ' ASN . 0.3 OUTLIER -75.71 104.43 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.0 t30 71.32 76.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -84.4 -169.73 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.234 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 148.37 172.24 18.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . 71.04 -152.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.337 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mt -84.35 130.85 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.552 HD12 HG21 ' B' ' 32' ' ' ILE . 2.3 tt -147.36 125.13 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.95 103.72 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.595 HD12 ' N ' ' A' ' 35' ' ' MET . 0.1 OUTLIER -102.27 147.52 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.595 ' N ' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -152.95 142.89 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.468 HG23 ' CG1' ' B' ' 36' ' ' VAL . 0.2 OUTLIER -145.01 115.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.73 114.91 4.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.71 118.01 3.95 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.73 134.96 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.646 HG23 HG13 ' B' ' 40' ' ' VAL . 4.2 p -138.5 136.14 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.493 HG23 ' HB ' ' B' ' 41' ' ' ILE . 0.8 OUTLIER -142.31 108.47 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.761 HD22 ' HB2' ' C' ' 17' ' ' LEU . 6.4 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.946 HG23 HG13 ' A' ' 18' ' ' VAL . 10.1 p -140.49 123.76 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.529 ' CZ ' ' HA3' ' D' ' 38' ' ' GLY . 0.3 OUTLIER -123.18 106.77 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.422 ' CE2' ' CD2' ' A' ' 20' ' ' PHE . 2.2 m-85 -93.71 140.78 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.38 96.5 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.436 ' HB2' ' CG ' ' C' ' 22' ' ' GLU . 11.2 mt-10 -120.07 139.62 52.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.444 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 4.9 t0 -137.96 121.07 16.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.756 ' CG2' HG12 ' C' ' 24' ' ' VAL . 2.3 t -92.6 105.79 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.83 86.01 0.47 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.1 OUTLIER -85.0 99.86 11.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' B' ' 26' ' ' SER . 0.9 OUTLIER 80.2 92.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 0.2 OUTLIER -105.69 158.45 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.4 -174.5 44.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.67 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . 63.11 -122.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mt -106.67 130.51 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.552 HG21 HD12 ' A' ' 32' ' ' ILE . 1.5 mp -127.93 135.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' C' ' 32' ' ' ILE . . . -148.65 122.81 1.55 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.732 HD12 ' N ' ' B' ' 35' ' ' MET . 0.1 OUTLIER -135.41 128.65 31.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.732 ' N ' HD12 ' B' ' 34' ' ' LEU . 3.0 mtp -129.89 135.02 47.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 36' ' ' VAL . 2.0 t -123.18 146.85 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.86 115.78 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.15 88.81 0.32 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -110.81 126.13 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.756 HG23 HG13 ' C' ' 40' ' ' VAL . 7.1 p -134.7 124.64 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.667 HG23 ' CG1' ' C' ' 41' ' ' ILE . 0.5 OUTLIER -131.47 113.15 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.578 ' HA ' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.761 ' HB2' HD22 ' B' ' 17' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 1.067 ' CG1' HG22 ' D' ' 18' ' ' VAL . 4.3 p -128.32 94.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.743 ' CE2' ' CD2' ' D' ' 19' ' ' PHE . 0.4 OUTLIER -93.99 138.08 32.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.06 113.22 14.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.53 91.81 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.436 ' CG ' ' HB2' ' B' ' 22' ' ' GLU . 2.5 mt-10 -115.78 123.69 48.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.447 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 18.4 t0 -132.14 106.42 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.756 HG12 ' CG2' ' B' ' 24' ' ' VAL . 18.0 m -90.47 118.17 35.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.69 118.41 4.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' C' ' 27' ' ' ASN . 21.9 t -102.36 106.14 16.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' C' ' 26' ' ' SER . 19.5 t30 82.83 70.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.444 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 24.9 mttt -83.88 161.32 20.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' C' ' 30' ' ' ALA . . . 169.46 -172.01 43.38 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.508 ' HB3' ' N ' ' D' ' 30' ' ' ALA . . . 67.82 -94.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.409 ' O ' ' O ' ' D' ' 30' ' ' ALA . 3.4 mp -138.72 119.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.549 ' N ' HD12 ' C' ' 32' ' ' ILE . 4.1 mp -115.95 104.63 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.39 115.85 3.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.417 HD23 ' HB2' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -128.82 128.86 44.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mtt -130.21 126.28 37.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.12 123.81 69.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.95 132.51 9.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.81 87.21 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -106.49 122.55 60.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 0.777 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.756 HG13 HG23 ' B' ' 40' ' ' VAL . 7.4 p -129.93 124.95 59.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.667 ' CG1' HG23 ' B' ' 41' ' ' ILE . 0.0 OUTLIER -122.18 124.03 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.512 HD23 HD11 ' C' ' 17' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 1.067 HG22 ' CG1' ' C' ' 18' ' ' VAL . 54.9 t -115.32 115.71 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.743 ' CD2' ' CE2' ' C' ' 19' ' ' PHE . 0.3 OUTLIER -109.17 87.68 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 111.04 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.601 ' CD2' ' CE1' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -91.65 106.13 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.72 102.24 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.81 138.49 52.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.424 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 37.1 t0 -146.36 142.9 28.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.751 HG22 ' HA ' ' E' ' 24' ' ' VAL . 10.1 m -127.5 144.55 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.31 105.69 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.5 OUTLIER -86.2 106.89 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.997 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' D' ' 26' ' ' SER . 4.5 t-20 82.68 63.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.447 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 43.1 mttt -72.34 178.6 3.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.581 ' O ' ' HB2' ' D' ' 30' ' ' ALA . . . 135.5 94.18 0.44 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 1.053 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . 171.25 -158.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.42 83.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.46 HD12 HG13 ' C' ' 32' ' ' ILE . 24.3 mt -83.43 122.45 37.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.37 88.18 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.716 ' C ' HD12 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -102.89 126.16 49.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.658 ' N ' HD12 ' D' ' 34' ' ' LEU . 8.2 ttt -134.38 124.87 26.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.28 119.24 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.71 89.92 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' CZ ' ' B' ' 19' ' ' PHE . . . -92.49 79.32 1.17 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -104.6 134.76 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.513 HG23 HG12 ' E' ' 40' ' ' VAL . 0.4 OUTLIER -148.71 109.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.661 HG23 HG22 ' C' ' 41' ' ' ILE . 14.5 mt -113.43 119.37 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' E' ' 17' ' ' LEU . 11.6 tp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 78.1 t -117.54 137.56 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.448 ' CE1' ' CE1' ' D' ' 19' ' ' PHE . 40.4 t80 -135.87 105.91 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' CD2' ' D' ' 20' ' ' PHE . 1.1 t80 -107.24 139.34 41.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' D' ' 20' ' ' PHE . . . -145.52 107.0 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -120.43 113.28 20.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.57 134.51 55.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.751 ' HA ' HG22 ' D' ' 24' ' ' VAL . 8.6 m -123.16 127.08 74.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.47 119.14 2.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.1 OUTLIER -98.42 115.11 27.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' E' ' 26' ' ' SER . 9.4 t-20 81.64 53.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.424 ' NZ ' ' OD1' ' D' ' 23' ' ' ASP . 41.5 mttt -65.01 143.42 57.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.47 -169.96 39.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 1.053 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . 59.5 -95.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mm -121.88 140.91 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.451 ' O ' HG22 ' E' ' 32' ' ' ILE . 75.3 mt -140.19 67.83 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.61 133.82 11.46 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 pp -148.62 111.31 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.6 mtt -111.07 113.79 26.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.09 120.56 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.26 124.84 8.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.85 70.84 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 83.2 t -92.1 135.63 26.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.753 ' O ' HG12 ' E' ' 40' ' ' VAL . 2.5 t -139.62 80.62 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 66.0 mt -99.33 92.1 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' B' ' 19' ' ' PHE . 79.0 t -106.77 102.19 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.25 124.55 48.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -133.68 134.59 43.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.04 121.14 12.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -133.26 131.85 40.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.443 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 16.5 t0 -116.46 98.04 6.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 t -82.84 104.63 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' HA3' ' CE ' ' B' ' 28' ' ' LYS . . . -114.69 100.53 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 23.4 m -74.34 73.19 1.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 72.11 -171.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HB3' ' N ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER 58.38 165.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.37 83.47 0.53 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' B' ' 30' ' ' ALA . . . -59.63 -66.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mt -121.69 110.66 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.617 ' HA ' HG23 ' B' ' 32' ' ' ILE . 7.1 tt -114.07 113.34 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.52 85.8 0.57 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.486 HD11 HD22 ' B' ' 34' ' ' LEU . 0.5 OUTLIER -86.46 131.07 34.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.6 mtp -145.31 135.06 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.86 112.97 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.89 133.97 11.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.48 144.07 14.34 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.528 HG13 ' HA ' ' B' ' 39' ' ' VAL . 2.8 p -154.88 131.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.8 t -130.99 134.84 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.401 HG23 HG13 ' B' ' 41' ' ' ILE . 4.5 tt -141.73 96.14 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.482 ' HG ' ' CB ' ' C' ' 17' ' ' LEU . 7.2 mp . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' C' ' 17' ' ' LEU . 54.6 t -81.53 125.92 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -127.37 93.37 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.19 108.94 20.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.36 103.04 10.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -116.04 133.4 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.579 ' CG ' ' HZ1' ' C' ' 28' ' ' LYS . 27.2 t0 -122.1 92.07 3.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.752 ' O ' HG12 ' B' ' 24' ' ' VAL . 2.9 t -79.5 77.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.68 110.12 3.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' C' ' 27' ' ' ASN . 6.4 t -85.27 106.14 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 109.951 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 26' ' ' SER . 2.3 m-80 66.93 94.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.501 ' HG2' HD13 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -50.23 -178.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.437 ' N ' ' HB2' ' C' ' 28' ' ' LYS . . . -120.1 -145.26 7.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -62.51 -84.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -106.02 145.8 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.617 HG23 ' HA ' ' A' ' 32' ' ' ILE . 7.1 tt -148.27 120.47 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.09 128.04 8.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.486 HD22 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -128.17 113.12 15.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mtm -128.45 118.36 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.69 96.36 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.64 103.25 2.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.39 106.99 1.97 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.901 ' CG1' HG22 ' C' ' 39' ' ' VAL . 0.2 OUTLIER -113.24 127.57 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 94.1 t -123.74 135.56 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' C' ' 41' ' ' ILE . 4.7 tt -142.53 130.52 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.482 ' CB ' ' HG ' ' B' ' 17' ' ' LEU . 2.0 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 54.7 t -103.15 93.52 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.13 92.42 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.03 133.08 44.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.51 100.58 3.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -114.82 125.15 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -120.64 99.02 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.586 HG13 ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -100.71 91.5 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.13 136.7 12.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -88.68 129.05 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.944 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' B' ' 26' ' ' SER . 6.3 m-80 53.59 89.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.579 ' HZ1' ' CG ' ' B' ' 23' ' ' ASP . 9.3 mmtt -43.69 167.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.68 -175.99 38.43 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' D' ' 30' ' ' ALA . . . -48.18 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.448 ' HB ' HG23 ' D' ' 31' ' ' ILE . 2.7 mp -113.73 107.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.636 HD13 ' N ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -112.17 111.43 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.636 ' N ' HD13 ' C' ' 32' ' ' ILE . . . -106.24 134.16 11.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 tt -130.39 99.59 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mtp -113.29 118.79 35.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 70.3 t -107.85 115.78 49.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.09 97.68 1.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.44 96.06 1.45 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.901 HG22 ' CG1' ' B' ' 39' ' ' VAL . 81.6 t -105.85 123.36 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.78 109.19 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.606 ' HA ' HG23 ' B' ' 41' ' ' ILE . 0.4 OUTLIER -116.26 114.04 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.548 ' HA ' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.475 HD13 HD22 ' E' ' 17' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.55 ' O ' HG12 ' D' ' 18' ' ' VAL . 2.9 t -124.37 92.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -97.97 90.19 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.73 108.01 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.547 ' HA ' ' HB3' ' E' ' 21' ' ' ALA . . . -110.32 92.4 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -105.03 114.84 29.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.97 125.22 41.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.586 ' HB ' HG13 ' C' ' 24' ' ' VAL . 0.2 OUTLIER -113.99 140.78 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.51 146.96 18.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -119.64 95.8 4.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.034 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' D' ' 26' ' ' SER . 0.3 OUTLIER 77.78 84.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -78.33 154.03 31.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' D' ' 30' ' ' ALA . . . -153.66 -167.84 16.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.799 ' O ' ' HB3' ' C' ' 30' ' ' ALA . . . 36.44 -143.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.448 HG23 ' HB ' ' C' ' 31' ' ' ILE . 3.1 mt -105.68 137.55 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.504 HG23 HG12 ' C' ' 32' ' ' ILE . 0.9 OUTLIER -136.81 103.23 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.13 135.18 12.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.29 102.9 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.738 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.33 108.58 16.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 1.061 HG22 ' CG1' ' E' ' 36' ' ' VAL . 38.9 t -106.07 111.44 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.6 155.56 20.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.23 76.78 0.23 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 71.0 t -92.41 110.21 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.623 HG22 ' CG1' ' E' ' 40' ' ' VAL . 47.8 t -118.43 112.82 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.481 ' CG1' HG23 ' C' ' 41' ' ' ILE . 26.8 mt -109.96 112.99 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.548 ' HB3' ' HA ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.475 HD22 HD13 ' D' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -101.62 122.66 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.66 119.27 28.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.87 115.98 20.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' D' ' 21' ' ' ALA . . . -115.88 93.49 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.35 99.01 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -123.18 143.36 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.524 HG12 ' CG1' ' D' ' 24' ' ' VAL . 0.7 OUTLIER -131.69 121.34 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.66 133.45 11.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.3 103.46 15.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.46 86.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.18 136.64 33.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.72 -163.7 10.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.516 ' N ' ' CB ' ' D' ' 30' ' ' ALA . . . 51.06 -155.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.01 94.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -105.36 125.06 60.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.83 118.81 4.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.416 HD23 ' C ' ' E' ' 34' ' ' LEU . 8.5 tt -98.93 97.73 8.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.2 tpp -99.94 119.05 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 1.061 ' CG1' HG22 ' D' ' 36' ' ' VAL . 2.8 p -133.93 77.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.35 108.64 3.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.42 123.09 6.0 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 80.4 t -120.1 122.51 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.623 ' CG1' HG22 ' D' ' 40' ' ' VAL . 0.1 OUTLIER -141.11 114.21 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -113.32 137.5 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -102.3 110.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.98 132.34 55.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -136.45 134.68 37.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.79 116.32 10.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.45 141.49 46.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 11.4 t0 -139.78 114.86 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 25' ' ' GLY . 6.9 t -80.99 116.84 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.51 84.11 0.36 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 25.6 m -82.08 87.81 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 26' ' ' SER . 8.8 t30 78.82 45.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.65 177.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.687 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 178.62 171.56 42.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . 83.54 -158.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.485 HG23 ' HA ' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -95.86 129.16 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -139.78 100.9 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.97 136.75 16.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.5 95.54 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.41 120.33 41.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.791 HG23 ' CG1' ' B' ' 36' ' ' VAL . 9.8 p -119.54 125.54 74.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.89 113.07 1.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.4 125.54 8.6 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' B' ' 40' ' ' VAL . 61.2 t -131.09 86.71 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.777 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.4 t -111.87 109.29 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mt -116.02 113.55 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.974 HD11 HD23 ' C' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -137.24 102.63 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -106.3 105.59 15.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.27 125.88 54.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.35 97.87 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -107.59 144.84 34.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 28.1 t0 -140.97 113.82 8.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.93 102.54 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' VAL . . . -103.32 110.59 3.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.418 ' O ' ' N ' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -105.62 110.64 23.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.975 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 t30 53.82 52.02 13.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.448 ' NZ ' ' OD1' ' A' ' 23' ' ' ASP . 13.4 ptmt -81.69 158.22 24.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' B' ' 30' ' ' ALA . . . -175.91 101.61 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 1.057 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . 177.72 -179.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.485 ' HA ' HG23 ' A' ' 31' ' ' ILE . 1.9 tt -87.53 96.52 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.806 HD12 HG21 ' C' ' 32' ' ' ILE . 1.5 tt -107.05 144.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.92 107.18 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.646 ' CD2' HD12 ' C' ' 34' ' ' LEU . 1.7 mt -98.78 124.78 43.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.9 mtm -134.65 96.63 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.791 ' CG1' HG23 ' A' ' 36' ' ' VAL . 8.9 p -100.61 116.28 43.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.85 112.73 2.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.09 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.03 96.01 1.24 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.2 t -97.4 134.51 35.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' VAL . 89.7 t -150.25 105.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 mt -115.54 92.43 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.974 HD23 HD11 ' B' ' 17' ' ' LEU . 2.4 tp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t -106.74 93.44 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -97.01 114.13 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.497 ' CG ' ' CZ ' ' D' ' 20' ' ' PHE . 0.5 OUTLIER -121.81 142.37 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.96 124.37 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -131.29 124.13 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.434 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 1.5 t70 -120.27 119.95 34.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 75.3 t -100.68 118.73 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.77 119.24 4.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.419 ' O ' ' N ' ' D' ' 27' ' ' ASN . 0.3 OUTLIER -104.1 92.39 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.973 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' B' ' 26' ' ' SER . 1.6 t30 73.91 69.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' B' ' 23' ' ' ASP . 12.1 mtpt -75.3 158.64 32.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.679 ' HA2' ' HB2' ' B' ' 30' ' ' ALA . . . -164.96 -178.46 38.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 1.057 ' O ' ' HB1' ' B' ' 30' ' ' ALA . . . 68.4 -124.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.475 HG12 ' CG2' ' B' ' 31' ' ' ILE . 8.2 mt -123.69 147.12 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.806 HG21 HD12 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -139.44 136.28 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' D' ' 32' ' ' ILE . . . -116.63 97.73 0.77 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.646 HD12 ' CD2' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -98.32 91.6 5.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 7.0 mtp -110.25 111.66 23.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.752 HG13 ' HA ' ' B' ' 36' ' ' VAL . 10.7 p -125.78 130.89 72.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.14 152.48 24.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.14 110.78 0.47 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.585 HG13 HG23 ' D' ' 39' ' ' VAL . 0.9 OUTLIER -114.74 123.37 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 84.5 t -121.42 110.47 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 38.7 mt -107.3 113.34 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.736 HD22 HD13 ' C' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 43.3 t -144.59 93.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.469 ' CE1' ' CG2' ' E' ' 36' ' ' VAL . 3.1 t80 -104.85 100.46 10.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.497 ' CZ ' ' CG ' ' C' ' 20' ' ' PHE . 0.6 OUTLIER -109.92 110.23 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.73 100.52 10.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -106.17 128.42 53.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 13.4 t0 -137.25 124.51 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.37 116.68 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.01 120.21 4.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -101.81 98.42 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.006 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' C' ' 26' ' ' SER . 0.9 OUTLIER 76.61 89.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.434 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 37.8 mttt -92.16 174.06 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.449 ' HA2' ' HB3' ' C' ' 30' ' ' ALA . . . 179.82 -164.62 32.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.546 ' N ' ' CB ' ' C' ' 30' ' ' ALA . . . 56.97 -122.75 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.85 107.64 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.735 HD13 HD12 ' E' ' 32' ' ' ILE . 5.4 mm -91.01 128.53 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' E' ' 34' ' ' LEU . . . -112.58 98.32 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.582 HD21 HD13 ' E' ' 34' ' ' LEU . 0.2 OUTLIER -104.59 103.2 12.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.99 96.69 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.723 ' HA ' HG13 ' E' ' 36' ' ' VAL . 2.7 p -115.79 105.09 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.93 151.4 18.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.569 1.168 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.78 98.57 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.625 HG13 HG23 ' E' ' 39' ' ' VAL . 12.3 p -109.1 130.25 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.632 HG21 ' CD2' ' C' ' 17' ' ' LEU . 79.2 t -137.54 125.61 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 47.5 mt -118.23 121.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 42.3 t -98.23 98.69 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -110.78 88.48 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.83 117.59 35.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.03 125.59 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -133.57 109.86 9.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.52 141.22 51.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -122.26 121.81 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.91 126.52 5.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.34 117.2 33.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 64.32 79.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.457 ' HE2' HD13 ' E' ' 32' ' ' ILE . 15.3 mtpt -87.42 167.82 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.5 -156.5 17.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.431 ' N ' ' CB ' ' D' ' 30' ' ' ALA . . . 57.19 -156.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.372 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.69 90.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.735 HD12 HD13 ' D' ' 32' ' ' ILE . 30.5 mt -77.07 136.94 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.87 70.66 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.582 HD13 HD21 ' D' ' 34' ' ' LEU . 0.7 OUTLIER -73.91 89.4 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.73 124.4 39.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.723 HG13 ' HA ' ' D' ' 36' ' ' VAL . 3.1 p -147.69 91.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.95 109.41 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.72 94.65 1.82 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.625 HG23 HG13 ' D' ' 39' ' ' VAL . 9.2 p -101.26 121.21 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.574 ' HB ' HG22 ' D' ' 40' ' ' VAL . 41.2 t -134.76 102.3 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mt -103.16 127.73 56.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.026 ' CG1' HG22 ' B' ' 18' ' ' VAL . 2.3 p -163.12 120.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.5 141.11 39.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.716 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 38.0 m-85 -132.76 96.57 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.68 130.38 55.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -149.26 148.97 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -120.56 93.39 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.798 ' CG1' HG23 ' B' ' 24' ' ' VAL . 63.2 t -79.96 68.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.71 134.55 12.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -113.26 102.1 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.041 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.51 76.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -113.91 -175.18 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . 164.57 -159.2 32.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . 69.24 -168.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 31' ' ' ILE . 1.2 tt -80.15 90.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 9.2 pt -108.95 132.78 56.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.77 125.94 8.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -126.84 73.4 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.9 ttm -93.31 129.47 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.56 110.54 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.54 113.32 4.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.15 90.1 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 38' ' ' GLY . 61.5 t -99.5 118.54 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.1 t -132.55 101.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 mt -96.19 111.94 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.552 HD11 HG21 ' D' ' 40' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 1.026 HG22 ' CG1' ' A' ' 18' ' ' VAL . 58.9 t -103.57 145.87 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.84 103.38 5.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.716 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -102.58 129.41 49.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.04 90.83 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -107.76 118.65 37.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -112.07 102.36 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.798 HG23 ' CG1' ' A' ' 24' ' ' VAL . 12.8 p -106.02 128.75 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.421 ' HA3' ' CE ' ' C' ' 28' ' ' LYS . . . -145.63 138.37 7.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -93.65 93.4 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.8 t30 78.48 108.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -146.72 124.39 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.24 -135.65 3.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.776 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . 62.79 -101.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.58 124.25 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.467 HG12 ' CG2' ' C' ' 32' ' ' ILE . 18.1 mt -122.04 150.56 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' C' ' 32' ' ' ILE . . . -139.13 79.11 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -90.06 119.78 30.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttp -130.06 110.12 11.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.58 119.06 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.96 128.35 8.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 39' ' ' VAL . . . -131.56 89.4 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -102.38 111.1 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 1.013 HG22 ' CG1' ' C' ' 40' ' ' VAL . 92.5 t -121.63 132.28 71.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.484 HD12 HG12 ' C' ' 41' ' ' ILE . 32.1 mt -129.65 119.09 47.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.75 ' HG ' HD13 ' D' ' 17' ' ' LEU . 3.1 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.809 HG22 ' HB ' ' B' ' 18' ' ' VAL . 21.8 t -133.96 113.33 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.79 99.76 9.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.434 ' CD2' ' CE1' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -95.24 132.12 40.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' B' ' 20' ' ' PHE . . . -130.91 92.74 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -106.37 132.17 52.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.421 ' CG ' ' NZ ' ' D' ' 28' ' ' LYS . 18.3 t0 -132.0 106.7 8.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.795 HG13 HG23 ' D' ' 24' ' ' VAL . 9.4 p -102.79 110.17 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.94 153.57 17.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.34 94.15 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 73.5 62.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 25.8 pttt -98.61 113.03 24.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.42 -145.45 6.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' N ' ' D' ' 30' ' ' ALA . . . 61.36 -139.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 37.7 mt -101.88 111.07 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.467 ' CG2' HG12 ' B' ' 32' ' ' ILE . 0.5 OUTLIER -125.86 134.31 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 141.47 12.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.542 HD12 ' HB3' ' D' ' 34' ' ' LEU . 0.2 OUTLIER -132.12 133.65 44.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.96 103.53 5.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 32.0 t -96.31 93.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.69 91.32 1.62 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.97 88.33 0.78 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 88.0 t -106.65 125.08 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 1.013 ' CG1' HG22 ' B' ' 40' ' ' VAL . 1.9 p -141.14 116.1 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.559 HD12 ' CG2' ' D' ' 41' ' ' ILE . 20.4 mt -112.32 144.65 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.75 HD13 ' HG ' ' C' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.518 HG23 ' O ' ' D' ' 17' ' ' LEU . 80.4 t -157.59 105.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.765 ' CE1' ' CE1' ' E' ' 19' ' ' PHE . 2.3 t80 -116.69 99.64 7.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.496 ' CG ' ' CZ ' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -97.95 104.44 16.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.455 ' HB2' ' HE1' ' D' ' 19' ' ' PHE . . . -106.08 110.77 23.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -121.69 130.96 53.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.43 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 66.7 t0 -132.69 129.3 38.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.795 HG23 HG13 ' C' ' 24' ' ' VAL . 6.0 p -119.77 123.12 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.97 127.12 5.66 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -96.08 98.9 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.79 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' D' ' 26' ' ' SER . 10.5 t-20 76.32 36.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.421 ' NZ ' ' CG ' ' C' ' 23' ' ' ASP . 1.0 OUTLIER -76.08 95.54 3.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.8 -133.46 4.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.491 ' N ' ' HB3' ' C' ' 30' ' ' ALA . . . 52.52 -141.75 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.673 ' HB ' HD13 ' E' ' 31' ' ' ILE . 3.6 mp -98.92 91.51 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.423 HD13 ' C ' ' D' ' 32' ' ' ILE . 0.0 OUTLIER -113.44 139.81 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.27 122.6 2.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.782 HD12 ' N ' ' D' ' 35' ' ' MET . 0.4 OUTLIER -118.24 118.02 30.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.782 ' N ' HD12 ' D' ' 34' ' ' LEU . 7.1 ttt -121.27 147.03 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.922 HG13 ' CG2' ' E' ' 36' ' ' VAL . 3.5 t -124.46 107.19 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.2 83.85 1.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.23 94.21 1.3 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' E' ' 40' ' ' VAL . 20.0 t -113.39 127.02 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.578 HG23 ' CG1' ' E' ' 40' ' ' VAL . 0.7 OUTLIER -144.91 100.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.896 ' CG1' HG23 ' E' ' 41' ' ' ILE . 1.8 pt -112.72 135.55 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 78.3 t -106.77 125.34 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.765 ' CE1' ' CE1' ' D' ' 19' ' ' PHE . 1.1 t80 -134.22 136.05 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.496 ' CZ ' ' CG ' ' D' ' 20' ' ' PHE . 0.8 OUTLIER -138.29 121.62 17.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.514 ' HB2' ' CZ ' ' E' ' 19' ' ' PHE . . . -117.58 130.66 56.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.33 88.95 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.77 136.3 33.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.593 HG23 HG13 ' D' ' 24' ' ' VAL . 7.1 p -133.47 137.91 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.4 142.97 10.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.3 OUTLIER -104.6 115.63 30.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 0.781 . . . . 0.0 109.975 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.573 ' O ' ' C ' ' E' ' 28' ' ' LYS . 27.0 t30 87.32 -42.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' E' ' 27' ' ' ASN . 1.4 mtmt 26.57 60.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.83 -157.4 27.51 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 54.38 -140.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.747 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.673 HD13 ' HB ' ' D' ' 31' ' ' ILE . 4.1 mm -102.37 114.86 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.58 ' C ' HD13 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -137.67 118.42 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.68 111.66 1.99 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.769 HD21 ' HB2' ' D' ' 34' ' ' LEU . 0.4 OUTLIER -109.42 136.17 49.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' D' ' 35' ' ' MET . 14.9 ttt -144.24 134.6 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.922 ' CG2' HG13 ' D' ' 36' ' ' VAL . 12.6 m -103.11 144.96 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.79 124.69 7.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.27 68.01 0.5 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.463 HG12 HG13 ' E' ' 41' ' ' ILE . 39.6 t -86.5 138.03 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.705 ' O ' HG12 ' E' ' 40' ' ' VAL . 2.5 t -146.65 82.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.896 HG23 ' CG1' ' D' ' 41' ' ' ILE . 2.8 mt -107.13 101.64 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.606 ' HB2' HD11 ' B' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 17' ' ' LEU . 53.9 t -157.97 122.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.68 122.43 38.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 22' ' ' GLU . 38.9 t80 -122.28 113.82 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.17 100.33 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -123.52 139.32 54.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 29.0 t0 -139.95 122.76 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 1.5 m -100.64 114.34 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' CA ' ' HD2' ' B' ' 28' ' ' LYS . . . -116.21 94.25 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 t -80.43 124.84 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.802 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t30 53.89 80.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -178.76 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' O ' HD11 ' A' ' 32' ' ' ILE . . . 151.64 179.45 27.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.567 1.167 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 65.46 -165.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 109.205 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.843 HG23 ' HA ' ' B' ' 31' ' ' ILE . 7.5 tt -73.74 102.11 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.425 HD11 ' O ' ' A' ' 29' ' ' GLY . 29.7 mm -94.44 142.36 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' B' ' 32' ' ' ILE . . . -139.27 71.59 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.482 HD11 HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -98.01 86.56 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.4 mtt -90.19 103.58 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.5 t -106.15 124.87 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.34 124.5 3.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.44 126.1 6.51 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.2 t -132.25 93.82 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.969 HG22 ' CG1' ' B' ' 40' ' ' VAL . 75.2 t -114.7 125.48 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.585 1.178 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.3 mt -133.5 93.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 17' ' ' LEU . 2.8 pp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 49.8 t -130.54 144.55 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -138.0 99.84 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -101.78 132.03 47.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.76 120.04 12.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.21 134.13 37.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -133.61 115.37 14.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.238 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' C' ' 25' ' ' GLY . 90.6 t -98.41 113.92 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.57 100.37 0.83 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.23 127.43 35.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 0.814 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 57.92 62.25 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.44 ' NZ ' ' OD1' ' A' ' 23' ' ' ASP . 19.5 mttt -64.76 159.11 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.38 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.91 -179.09 44.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.09 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.452 ' CB ' ' N ' ' C' ' 30' ' ' ALA . . . 58.43 -157.59 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.843 ' HA ' HG23 ' A' ' 31' ' ' ILE . 13.7 mt -74.8 115.37 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' GLY . 4.0 mm -115.61 88.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.43 102.13 2.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.582 1.176 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.598 HD23 HG23 ' B' ' 36' ' ' VAL . 0.2 OUTLIER -122.18 130.56 53.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 0.712 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.56 104.17 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.598 HG23 HD23 ' B' ' 34' ' ' LEU . 93.7 t -106.36 106.68 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.86 120.13 4.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.77 78.51 0.24 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.78 105.58 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.969 ' CG1' HG22 ' A' ' 40' ' ' VAL . 1.8 p -136.86 116.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mt -128.66 122.47 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' B' ' 17' ' ' LEU . 2.4 tt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -149.36 129.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.55 114.9 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -118.63 118.81 32.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.23 98.04 4.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.94 122.01 42.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.42 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 6.9 t0 -127.79 117.76 22.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 t -100.17 104.1 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 24' ' ' VAL . . . -107.46 115.83 4.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -102.02 128.88 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.784 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 59.89 70.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -75.12 152.49 38.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.648 ' O ' HD11 ' C' ' 32' ' ' ILE . . . 179.31 -178.2 48.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . 63.23 -129.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mp -107.6 117.27 52.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.648 HD11 ' O ' ' C' ' 29' ' ' GLY . 18.1 mm -114.18 105.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.41 110.17 2.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.7 HD11 HD23 ' D' ' 34' ' ' LEU . 0.3 OUTLIER -129.02 119.68 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -115.29 95.06 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.504 HG22 ' CG1' ' D' ' 36' ' ' VAL . 59.2 t -100.11 91.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.365 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.31 122.82 6.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.8 100.92 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.423 ' CG1' HG23 ' D' ' 39' ' ' VAL . 2.8 t -106.16 125.33 61.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' B' ' 40' ' ' VAL . 2.5 p -152.76 111.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.46 130.52 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.527 HD21 HG11 ' E' ' 40' ' ' VAL . 1.2 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t -137.3 109.22 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -112.93 126.26 55.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -134.04 113.0 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.62 94.67 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -109.31 107.89 18.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.082 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.429 ' OD2' ' NZ ' ' E' ' 28' ' ' LYS . 31.4 t70 -121.25 120.39 35.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.834 HG23 HG12 ' E' ' 24' ' ' VAL . 1.9 t -107.59 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.88 124.11 8.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 0.1 OUTLIER -116.63 126.14 52.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.729 . . . . 0.0 110.006 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' D' ' 26' ' ' SER . 21.1 t30 84.23 44.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.42 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 73.6 mttt -61.02 157.1 16.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.8 -170.87 43.76 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.57 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . 61.95 -112.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 0.761 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -128.17 122.41 58.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.638 HG22 ' O ' ' D' ' 32' ' ' ILE . 1.2 mp -123.25 99.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.0 93.76 0.79 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.565 1.166 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.7 HD23 HD11 ' C' ' 34' ' ' LEU . 0.6 OUTLIER -110.04 108.25 18.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.569 ' N ' HD12 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -102.12 97.74 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.504 ' CG1' HG22 ' C' ' 36' ' ' VAL . 0.2 OUTLIER -105.88 104.76 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.12 155.15 17.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' C' ' 39' ' ' VAL . . . -151.97 95.13 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.9 ' CG1' HG22 ' E' ' 39' ' ' VAL . 0.4 OUTLIER -108.95 119.97 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.555 ' HB ' HG13 ' E' ' 40' ' ' VAL . 0.2 OUTLIER -133.84 119.98 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.465 HD12 HG12 ' E' ' 41' ' ' ILE . 22.5 mt -119.26 128.06 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 92.5 t -138.89 108.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -114.87 128.49 56.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.19 104.78 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.99 122.12 45.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.83 114.59 17.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -140.41 122.94 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.834 HG12 HG23 ' D' ' 24' ' ' VAL . 2.2 m -127.9 121.68 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.102 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.72 156.43 26.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.577 1.173 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.545 ' O ' ' CB ' ' E' ' 27' ' ' ASN . 0.5 OUTLIER -128.82 71.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' E' ' 26' ' ' SER . 7.3 m-20 153.26 45.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 0.0 OUTLIER -73.1 148.11 44.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.385 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.6 -168.42 37.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' D' ' 30' ' ' ALA . . . 62.29 -147.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 0.732 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 mm -87.24 108.59 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.374 1.046 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.462 ' CG2' HG13 ' D' ' 32' ' ' ILE . 41.1 mm -110.55 77.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.13 103.99 2.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.507 HD11 HD22 ' D' ' 34' ' ' LEU . 0.7 OUTLIER -121.76 141.63 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.8 150.67 42.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.644 ' O ' HG22 ' E' ' 36' ' ' VAL . 0.2 OUTLIER -162.87 86.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.56 11.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.18 102.16 1.05 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.9 HG22 ' CG1' ' D' ' 39' ' ' VAL . 73.6 t -107.53 127.77 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.555 HG13 ' HB ' ' D' ' 40' ' ' VAL . 0.2 OUTLIER -152.85 101.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.465 HG12 HD12 ' D' ' 41' ' ' ILE . 3.5 mp -112.28 122.61 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.55 HD22 HD13 ' B' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.1 t -113.92 108.46 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.56 114.67 26.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CD1' ' CZ ' ' B' ' 20' ' ' PHE . 2.0 t80 -134.14 143.31 47.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.71 123.11 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -137.45 143.39 41.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -146.18 122.84 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.079 ' CG1' HG23 ' B' ' 24' ' ' VAL . 9.6 p -107.43 146.19 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.07 107.23 0.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 68.9 m -74.3 77.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.963 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 26' ' ' SER . 4.2 m120 84.39 99.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' CB ' ' HB2' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -130.17 -162.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 139.92 -139.54 9.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.32 -98.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.4 mt -134.12 102.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.692 ' C ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -125.85 128.4 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.674 ' N ' HD13 ' A' ' 32' ' ' ILE . . . -122.75 112.51 1.97 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 35' ' ' MET . 2.0 tp -100.39 128.3 46.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.699 ' N ' HD12 ' A' ' 34' ' ' LEU . 8.8 mtt -143.03 118.02 10.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.609 HG13 HD11 ' A' ' 34' ' ' LEU . 29.3 m -118.99 129.32 75.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.57 83.42 0.35 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.97 120.87 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.8 t -136.42 125.63 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.9 t -131.16 137.45 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.533 HG23 HG13 ' B' ' 41' ' ' ILE . 11.5 tt -158.07 154.58 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.55 HD13 HD22 ' A' ' 17' ' ' LEU . 7.4 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.464 HG23 ' C ' ' B' ' 17' ' ' LEU . 96.5 t -155.02 133.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -132.96 96.93 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.419 ' CZ ' ' CD1' ' A' ' 20' ' ' PHE . 1.2 t80 -118.83 134.46 55.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.04 105.59 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.47 129.81 55.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.454 ' OD2' ' NZ ' ' C' ' 28' ' ' LYS . 35.1 t70 -126.56 97.75 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 1.135 ' CG1' HG22 ' C' ' 24' ' ' VAL . 12.4 p -96.07 119.32 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.24 134.03 8.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 15.1 m -100.51 100.56 11.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 0.736 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' B' ' 26' ' ' SER . 9.9 m-80 75.98 105.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.459 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 12.5 mttt -117.11 -164.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.6 -157.22 24.53 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.12 -95.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' C' ' 32' ' ' ILE . 83.2 mt -140.65 123.97 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.2 126.49 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.15 110.24 1.4 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tp -101.43 102.95 13.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mtm -120.63 120.58 36.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.792 HG12 ' CG2' ' C' ' 36' ' ' VAL . 23.4 m -117.55 133.74 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.18 100.1 0.76 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.32 89.12 0.54 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 75.5 t -111.21 106.39 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.0 t -112.59 113.37 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.54 HG23 ' HA ' ' C' ' 41' ' ' ILE . 15.1 tt -129.31 114.15 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.733 HD13 HD22 ' D' ' 17' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.471 ' HB ' HG22 ' D' ' 18' ' ' VAL . 22.6 t -94.18 100.52 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.3 121.95 45.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.6 130.9 28.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.04 109.55 10.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -116.79 123.94 48.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.448 ' OD2' ' NZ ' ' D' ' 28' ' ' LYS . 23.7 t70 -124.44 131.63 53.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 1.135 HG22 ' CG1' ' B' ' 24' ' ' VAL . 58.2 t -121.31 107.56 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.43 107.23 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.24 132.32 35.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 26' ' ' SER . 2.4 m120 59.98 55.04 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 9.8 mttt -67.27 153.75 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.62 ' N ' HD11 ' C' ' 32' ' ' ILE . . . 176.23 -170.06 42.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . 58.49 -147.07 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mp -78.19 113.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.62 HD11 ' N ' ' C' ' 29' ' ' GLY . 11.8 mt -117.35 83.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.61 101.62 2.79 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.58 HD11 HG13 ' C' ' 36' ' ' VAL . 3.0 tp -112.72 115.05 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 21.0 ttt -136.95 101.68 4.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.792 ' CG2' HG12 ' B' ' 36' ' ' VAL . 23.2 m -91.68 123.67 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.98 126.46 8.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.21 96.74 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -120.1 132.85 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 53.2 t -125.72 101.92 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.575 HG23 ' HA ' ' D' ' 41' ' ' ILE . 3.9 tt -117.65 108.12 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.733 HD22 HD13 ' C' ' 17' ' ' LEU . 3.8 mp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.471 HG22 ' HB ' ' C' ' 18' ' ' VAL . 72.8 t -132.65 129.4 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.447 ' CE1' HG13 ' E' ' 36' ' ' VAL . 4.4 t80 -131.31 99.27 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.19 133.03 53.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.59 106.82 8.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.3 137.1 52.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.41 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 27.0 t0 -141.57 108.58 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -103.88 105.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.67 131.58 9.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.445 ' O ' ' N ' ' E' ' 27' ' ' ASN . 0.4 OUTLIER -102.12 131.16 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.045 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 65.24 71.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.448 ' NZ ' ' OD2' ' C' ' 23' ' ' ASP . 16.4 mttt -88.98 131.51 35.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.444 ' N ' HD11 ' D' ' 32' ' ' ILE . . . -163.21 -155.21 8.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.631 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . 54.37 -101.22 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 34.7 mt -130.86 114.62 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.55 HG13 HD12 ' E' ' 32' ' ' ILE . 2.7 mp -111.56 99.41 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 115.04 4.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.672 HD13 HD21 ' E' ' 34' ' ' LEU . 1.7 tp -130.0 112.13 13.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.43 121.43 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.758 HG21 HG12 ' C' ' 36' ' ' VAL . 2.4 t -95.77 121.91 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . -107.38 82.54 0.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.3 76.13 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 73.8 t -108.67 140.31 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 66.4 t -135.31 109.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.708 HG21 HD12 ' E' ' 41' ' ' ILE . 2.9 tt -117.84 122.0 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.78 123.83 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -124.33 122.51 37.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -134.24 117.79 16.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.77 106.38 12.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.33 101.82 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.66 130.68 53.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 42.6 t -131.61 108.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.69 142.31 13.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.67 135.79 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' D' ' 26' ' ' SER . 0.8 OUTLIER 66.58 79.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.599 ' O ' HD11 ' E' ' 32' ' ' ILE . 5.5 mttt -102.29 52.93 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.11 60.68 0.7 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.01 -145.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.54 98.43 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.599 HD11 ' O ' ' E' ' 28' ' ' LYS . 5.1 mt -93.44 122.27 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.96 72.57 0.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.718 ' C ' HD12 ' E' ' 34' ' ' LEU . 0.1 OUTLIER -92.17 117.17 29.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.746 . . . . 0.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.7 mtm -127.14 120.39 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.447 HG13 ' CE1' ' D' ' 19' ' ' PHE . 95.7 t -87.81 102.46 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.0 75.73 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' D' ' 37' ' ' GLY . . . -108.05 70.27 0.21 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -112.62 126.08 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -123.27 113.15 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.708 HD12 HG21 ' D' ' 41' ' ' ILE . 2.1 tt -118.62 124.31 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.1 t -101.46 128.43 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -134.62 90.46 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 0.1 OUTLIER -82.07 130.84 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.78 82.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.27 127.65 56.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 30.5 t70 -112.01 90.86 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.3 t -76.23 104.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.05 98.33 0.6 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.2 m -78.34 95.41 5.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 0.778 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.3 t30 74.46 123.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' CB ' ' HB2' ' B' ' 28' ' ' LYS . 5.5 pttp -168.39 -163.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 28' ' ' LYS . . . 158.86 -133.73 3.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.65 -149.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.268 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 mt -82.41 118.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.797 ' C ' HD13 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -126.91 119.64 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.732 ' N ' HD13 ' A' ' 32' ' ' ILE . . . -105.78 114.98 4.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -111.94 126.19 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.9 97.9 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.014 HG13 ' CG2' ' B' ' 36' ' ' VAL . 21.4 t -106.58 122.09 60.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.02 96.1 0.47 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.22 125.61 8.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.12 96.33 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.345 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 40' ' ' VAL . 7.7 m -115.06 103.21 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.6 mt -100.19 119.85 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -85.96 122.83 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -130.99 92.6 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.483 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -95.33 121.85 37.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.86 106.11 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -127.21 143.81 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' C' ' 28' ' ' LYS . 62.5 t0 -131.76 107.06 8.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 90.8 t -93.46 94.69 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.24 111.98 3.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 67.4 m -89.75 94.99 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' B' ' 26' ' ' SER . 7.9 t30 82.9 95.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 10.6 mttt -108.91 -174.21 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.96 -165.9 31.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.461 ' HB3' ' N ' ' C' ' 30' ' ' ALA . . . 61.26 -143.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.51 95.03 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.795 ' C ' HD13 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -107.19 121.36 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.763 ' N ' HD13 ' B' ' 32' ' ' ILE . . . -108.02 129.65 9.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.853 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -130.22 109.2 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.401 ' N ' HD13 ' B' ' 34' ' ' LEU . 50.0 mtp -137.0 134.45 36.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 1.014 ' CG2' HG13 ' A' ' 36' ' ' VAL . 7.5 m -131.77 146.95 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.26 113.19 0.79 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.28 83.87 0.35 Allowed Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.61 74.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.42 0.718 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.688 ' C ' HD12 ' B' ' 41' ' ' ILE . 3.5 m -98.19 137.26 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.688 HD12 ' C ' ' B' ' 40' ' ' VAL . 3.5 mp -128.11 138.09 55.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.727 ' HA ' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' D' ' 17' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.659 ' O ' HG12 ' C' ' 18' ' ' VAL . 5.0 t -130.79 80.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.39 122.23 33.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.16 122.12 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.37 109.87 12.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -125.3 112.42 16.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.412 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 31.1 t70 -103.12 99.6 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' D' ' 23' ' ' ASP . 61.6 t -92.48 92.77 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.32 132.61 10.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' D' ' 27' ' ' ASN . 19.2 m -109.29 116.74 32.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' B' ' 26' ' ' SER . 6.6 t-20 73.47 51.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.441 ' CE ' ' HD3' ' B' ' 28' ' ' LYS . 15.5 ttpt -76.24 167.52 21.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.42 -152.04 22.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.529 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . 63.69 -127.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mt -117.28 113.16 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.632 HG13 HG22 ' D' ' 32' ' ' ILE . 4.0 tt -124.41 139.74 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.78 83.13 0.35 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.085 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' D' ' 34' ' ' LEU . 0.2 OUTLIER -82.46 102.69 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtt -127.23 118.01 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.839 HG12 HG22 ' D' ' 36' ' ' VAL . 28.5 m -118.11 121.7 67.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.19 117.36 3.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.3 98.95 0.8 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 66.9 t -105.2 129.77 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.656 HG23 HG12 ' B' ' 40' ' ' VAL . 9.6 t -135.36 133.88 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mm -133.22 92.13 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.727 ' HB3' ' HA ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.522 ' HB3' HD13 ' C' ' 17' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.807 ' CG1' HG22 ' E' ' 18' ' ' VAL . 0.9 OUTLIER -147.27 118.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -113.55 132.98 55.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.3 118.68 25.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.79 84.53 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -101.83 121.45 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' C' ' 24' ' ' VAL . 28.0 t70 -119.81 122.03 40.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.653 ' CG1' HG23 ' E' ' 24' ' ' VAL . 4.3 t -115.36 82.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.53 121.07 6.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' D' ' 27' ' ' ASN . 73.4 m -96.4 115.65 27.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 0.768 . . . . 0.0 110.005 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' D' ' 26' ' ' SER . 1.9 t-20 78.58 72.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.412 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 20.2 mtpt -89.61 151.84 21.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.0 -160.51 26.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.529 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . 63.17 -107.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 59.3 mt -130.05 117.38 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.632 HG22 HG13 ' C' ' 32' ' ' ILE . 3.7 mt -112.87 139.64 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' E' ' 34' ' ' LEU . . . -135.23 111.78 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' C' ' 34' ' ' LEU . 0.3 OUTLIER -117.75 79.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.431 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.3 mtp -105.11 96.26 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.839 HG22 HG12 ' C' ' 36' ' ' VAL . 17.9 m -101.4 119.5 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.53 133.35 11.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.82 92.39 0.23 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -103.72 131.64 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.11 97.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.617 ' HB ' HG23 ' E' ' 41' ' ' ILE . 6.4 mm -97.98 116.57 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.807 HG22 ' CG1' ' D' ' 18' ' ' VAL . 83.1 t -107.72 108.55 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -99.66 86.48 3.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.48 125.49 34.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.63 80.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.01 115.57 27.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.56 141.25 52.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.653 HG23 ' CG1' ' D' ' 24' ' ' VAL . 1.9 p -148.0 108.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.38 155.16 25.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.81 151.43 23.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' D' ' 26' ' ' SER . 2.1 m-80 53.6 87.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.411 ' NZ ' ' OD2' ' D' ' 23' ' ' ASP . 0.1 OUTLIER -110.65 108.81 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.06 -149.48 7.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.428 1.08 . . . . 0.0 110.995 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.83 -149.52 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 tt -103.29 93.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -74.29 93.52 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.95 71.47 2.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' D' ' 33' ' ' GLY . 0.2 OUTLIER -91.72 103.7 16.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' D' ' 35' ' ' MET . 2.3 ptm -147.11 146.74 30.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' D' ' 36' ' ' VAL . 8.4 m -127.76 145.62 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.75 91.99 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.59 67.88 0.93 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -89.32 96.85 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -106.37 123.78 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.617 HG23 ' HB ' ' D' ' 41' ' ' ILE . 15.0 mt -132.75 130.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.5 t -145.59 119.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -120.9 125.98 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.635 ' CD2' ' CE1' ' B' ' 20' ' ' PHE . 1.4 m-85 -126.28 76.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HA ' ' HB3' ' B' ' 21' ' ' ALA . . . -86.27 95.61 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.1 148.06 43.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.509 ' CG ' ' HZ1' ' B' ' 28' ' ' LYS . 26.8 t0 -137.64 93.57 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.9 t -79.37 84.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.11 126.75 8.87 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 p -109.86 101.97 10.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 0.727 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.83 114.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 3.8 pttt -168.64 -175.68 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.9 -127.07 2.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.48 -101.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.5 mt -130.06 106.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.622 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.2 mt -125.43 117.6 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.45 95.11 0.95 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.09 114.35 28.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttm -125.23 114.71 19.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.414 HG23 HG13 ' B' ' 36' ' ' VAL . 4.2 p -121.32 123.36 69.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.89 131.31 9.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.6 112.91 2.76 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.71 102.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.4 t -121.64 102.64 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.2 mt -102.21 83.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.5 t -129.96 118.34 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -121.99 93.34 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.635 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -95.7 136.59 35.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -140.11 84.22 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.408 ' OE2' ' CG2' ' B' ' 24' ' ' VAL . 11.0 tt0 -106.84 122.54 46.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.11 107.83 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.367 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.408 ' CG2' ' OE2' ' B' ' 22' ' ' GLU . 54.3 t -94.94 98.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.09 111.89 2.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' B' ' 27' ' ' ASN . 40.5 m -95.09 100.36 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' B' ' 26' ' ' SER . 1.8 t30 76.99 55.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -104.08 -178.34 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.08 -130.42 4.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.95 -101.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mt -134.16 101.12 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.831 HG13 HG23 ' C' ' 32' ' ' ILE . 4.1 tt -116.81 147.27 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.27 86.43 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mp -92.92 133.13 36.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.5 ttt -144.72 100.8 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.76 HG23 ' CG1' ' C' ' 36' ' ' VAL . 2.3 p -112.23 138.07 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.23 133.08 6.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.446 1.091 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.91 92.56 0.56 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.728 HG12 HG23 ' C' ' 39' ' ' VAL . 2.5 t -94.26 135.34 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 86.7 t -148.03 127.91 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 57.4 mt -130.11 121.2 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.692 HD23 HD12 ' D' ' 17' ' ' LEU . 20.8 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.538 HG23 HG12 ' D' ' 18' ' ' VAL . 7.3 t -82.17 80.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.59 88.87 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.26 118.06 35.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.54 113.69 20.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -133.2 137.83 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.429 ' OD1' ' NZ ' ' D' ' 28' ' ' LYS . 63.3 t0 -132.51 107.84 8.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.33 98.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.57 122.75 6.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.47 99.81 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.7 73.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 0.4 OUTLIER -118.46 110.22 17.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.96 -144.18 6.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.429 ' HB3' ' N ' ' D' ' 30' ' ' ALA . . . 55.4 -137.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.69 116.71 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.831 HG23 HG13 ' B' ' 32' ' ' ILE . 0.8 OUTLIER -132.35 127.48 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.14 146.38 18.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.657 HD23 ' C ' ' C' ' 34' ' ' LEU . 3.7 tt -153.11 119.44 5.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.595 ' N ' HD23 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -116.6 141.39 48.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.76 ' CG1' HG23 ' B' ' 36' ' ' VAL . 19.4 t -136.04 95.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.3 107.5 2.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.34 104.42 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.728 HG23 HG12 ' B' ' 39' ' ' VAL . 0.9 OUTLIER -117.55 135.06 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.39 118.28 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.362 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 8.6 mt -113.84 131.18 66.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.739 HD22 ' HG ' ' E' ' 17' ' ' LEU . 1.5 mm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.538 HG12 HG23 ' C' ' 18' ' ' VAL . 2.2 m -138.74 113.24 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -116.44 109.82 17.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.444 ' CG ' ' CZ ' ' E' ' 20' ' ' PHE . 0.3 OUTLIER -106.0 123.47 48.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.14 105.89 8.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.78 126.9 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.44 ' OD1' ' NZ ' ' E' ' 28' ' ' LYS . 40.9 t0 -123.66 120.93 34.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 74.3 t -109.89 102.24 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.29 120.54 5.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.94 99.58 11.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 71.46 86.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.429 ' NZ ' ' OD1' ' C' ' 23' ' ' ASP . 8.8 pttt -128.24 113.42 15.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.89 -141.66 4.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.429 ' N ' ' HB3' ' C' ' 30' ' ' ALA . . . 58.09 -100.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 78.1 mt -138.19 110.71 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.755 HG12 HG23 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -137.19 113.93 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.702 ' N ' HD13 ' D' ' 32' ' ' ILE . . . -121.44 130.63 8.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.71 132.45 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.08 132.95 56.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -128.05 96.58 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.12 124.63 8.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.5 103.13 0.49 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.686 HG13 HG23 ' E' ' 39' ' ' VAL . 1.3 p -116.88 131.87 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.525 HG21 HD13 ' C' ' 17' ' ' LEU . 76.1 t -134.0 135.51 54.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 mt -129.66 121.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.739 ' HG ' HD22 ' D' ' 17' ' ' LEU . 7.1 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -141.29 137.48 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -157.73 118.43 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.444 ' CZ ' ' CG ' ' D' ' 20' ' ' PHE . 1.3 m-85 -118.77 127.73 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.87 110.71 12.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -116.67 100.83 8.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -97.49 126.66 42.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -126.57 98.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.73 133.03 10.44 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -104.74 113.83 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 65.38 77.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.44 ' NZ ' ' OD1' ' D' ' 23' ' ' ASP . 21.0 pttt -119.46 98.08 5.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.11 -134.48 6.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 50.7 -145.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mt -102.14 98.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.755 HG23 HG12 ' D' ' 32' ' ' ILE . 0.0 OUTLIER -122.23 130.51 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.41 ' N ' HD13 ' E' ' 32' ' ' ILE . . . -133.54 127.41 4.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.055 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.87 124.63 43.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.7 tpp -106.47 131.24 53.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -125.69 95.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.68 137.73 13.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.45 1.094 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.5 99.39 0.24 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.686 HG23 HG13 ' D' ' 39' ' ' VAL . 12.2 p -111.61 134.32 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 69.3 t -138.53 131.84 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 7.0 mt -124.45 124.28 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.951 . . . . . . . . 0 0 . 1 stop_ save_