data_1spw_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 1spw _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 ' 2' ' ' ASP . . . . . 0.45 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 2.0 p-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.291 -0.633 . . . . 99.989999999999995 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.463 ' CG2' HG22 ' A' ' 5' ' ' VAL . 30.3 mm -148.98 143.0 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -125.93 78.81 1.78 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.025 -0.988 . . . . 99.989999999999995 109.806 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.463 HG22 ' CG2' ' A' ' 3' ' ' ILE . 54.7 t -90.75 118.58 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.521 ' SG ' ' CE1' ' A' ' 36' ' ' PHE . 8.9 t -50.86 146.61 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 108.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 79.6 p -106.6 20.57 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.41 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.2 t -115.33 -51.87 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.48 -21.48 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 108.307 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.44 23.49 33.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -54.13 162.58 0.98 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.02 -0.59 . . . . 99.989999999999995 109.814 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' CG ' HG21 ' A' ' 5' ' ' VAL . 1.7 tt0 -124.93 127.12 46.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.516 ' OH ' ' CD2' ' A' ' 17' ' ' PHE . 36.4 t80 -141.08 150.16 42.56 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.009 -0.996 . . . . 99.989999999999995 109.815 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.49 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -118.41 139.93 27.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.45 ' CD ' ' O ' ' A' ' 2' ' ' ASP . 64.8 Cg_endo -79.78 70.42 7.52 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.302 3.335 . . . . 99.989999999999995 109.647 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.64 38.61 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.27 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 19.4 p90 -102.91 -171.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.963 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -135.37 -45.34 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.266 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -105.82 95.6 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.307 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -115.89 86.89 17.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.251 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 20' ' ' LEU . 71.4 Cg_exo -47.23 174.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.3 3.334 . . . . 99.989999999999995 109.563 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.97 57.45 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.273 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t0 173.54 71.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -108.17 130.71 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 108.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.36 139.45 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 2.0 t -50.12 135.29 22.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 108.319 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 89.2 Cg_endo -83.26 19.56 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.309 3.34 . . . . 99.989999999999995 109.598 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.48 -73.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 109.304 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -70.63 -32.65 70.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 108.32 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.29 -12.77 67.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.998 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.09 160.21 2.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 99.989999999999995 109.292 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.8 p -68.36 165.05 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 110.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 46.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -108.25 -31.8 7.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.348 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.402 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -78.85 -2.73 41.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 109.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CE1' ' SG ' ' A' ' 6' ' ' CYS . 6.7 m-85 -79.62 134.95 36.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 111.043 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LYS . 2.8 tt0 -165.46 150.99 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.288 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' GLU . 4.1 ttpt -40.05 139.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.278 -0.638 . . . . 99.989999999999995 109.278 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 mm -141.85 140.86 30.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 109.261 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -120.2 83.77 2.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.954 -1.021 . . . . 99.989999999999995 109.843 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 11' ' ' TYR . 61.1 t -88.43 119.15 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.6 t -48.71 148.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 108.262 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 22.5 p -107.4 17.03 23.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.389 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 t -112.22 -52.1 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 99.989999999999995 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.4 p -107.84 -25.05 11.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.619 1.199 . . . . 99.989999999999995 108.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.75 15.24 46.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 111.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CE2' ' CG ' ' A' ' 27' ' ' PRO . 19.3 t80 -51.66 166.35 0.14 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.023 -0.589 . . . . 99.989999999999995 109.884 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.429 ' HG2' ' CG2' ' A' ' 5' ' ' VAL . 7.6 mt-10 -128.75 124.3 35.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 110.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.425 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 62.5 t80 -104.47 164.77 11.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.053 -0.976 . . . . 99.989999999999995 109.796 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 t70 -134.88 97.59 13.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.272 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 11.3 Cg_exo -34.48 131.98 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.321 3.348 . . . . 99.989999999999995 109.601 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 83.05 73.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.394 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -93.28 -64.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 111.027 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -178.99 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LEU . 2.8 m-20 -96.21 -49.9 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER 38.4 83.42 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.304 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -81.67 178.42 6.59 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.38 3.387 . . . . 99.989999999999995 109.578 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.73 35.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.31 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -162.59 43.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.336 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -80.17 140.05 36.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 108.0 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.77 140.06 53.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.306 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.467 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -42.34 139.0 1.95 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 108.351 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.546 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -84.67 15.53 2.17 Favored 'Trans proline' 0 N--CA 1.446 -1.3 0 C-N-CA 124.292 3.328 . . . . 99.989999999999995 109.632 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.6 t -139.6 -73.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 109.325 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.467 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 18.8 p -63.9 -21.91 66.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 108.311 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.46 35.45 91.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 110.983 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.07 159.93 15.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 99.989999999999995 109.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 p -60.57 153.76 22.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.993 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.2 49.42 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.388 1.055 . . . . 99.989999999999995 109.335 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -114.92 -41.42 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.237 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -63.84 -13.04 41.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 109.278 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.43 133.42 49.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 111.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 2.5 tp10 -156.21 145.14 20.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.287 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -39.91 139.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.302 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.278 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.228 -0.656 . . . . 99.989999999999995 109.228 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.7 mt -145.33 133.97 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 109.313 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -112.69 92.07 3.88 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.002 -0.999 . . . . 99.989999999999995 109.824 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.94 114.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.33 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.2 t -50.62 152.13 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 108.271 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 45.7 p -109.81 18.19 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.424 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.6 t -115.11 -52.87 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.362 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.2 p -108.57 -20.86 12.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 108.348 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 91.37 11.84 60.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 110.961 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.491 ' CE2' ' CG ' ' A' ' 27' ' ' PRO . 11.8 t80 -39.93 157.28 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.998 -0.601 . . . . 99.989999999999995 109.808 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.66 119.26 25.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.278 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -105.51 157.58 17.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.038 -0.983 . . . . 99.989999999999995 109.847 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' PRO . 19.9 t0 -135.12 88.64 25.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' ASP . 11.6 Cg_exo -34.53 107.14 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.282 3.321 . . . . 99.989999999999995 109.616 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 173.19 68.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.266 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -154.13 -171.58 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.995 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -144.81 62.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 110.325 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.43 94.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.272 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tt -143.39 82.84 11.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.71 -175.61 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.315 3.344 . . . . 99.989999999999995 109.641 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.18 55.78 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.278 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 178.24 62.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 109.31 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -97.5 139.35 33.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 108.029 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.77 138.84 53.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.234 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.425 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.0 t -52.74 133.07 46.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 108.286 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.491 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 93.2 Cg_endo -72.45 -2.03 11.12 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.312 3.341 . . . . 99.989999999999995 109.603 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.8 t -109.11 -91.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.331 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.0 p -49.89 -49.84 48.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 108.28 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.46 -11.72 39.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 111.02 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.41 164.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 99.989999999999995 109.303 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 p -68.5 170.33 9.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 109.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.508 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -90.24 40.69 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 109.311 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -96.15 -50.62 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.269 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -61.29 -15.09 31.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 10.6 m-85 -64.55 135.21 55.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 110.977 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.94 154.08 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 99.989999999999995 110.285 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -94.56 105.32 17.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.294 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.372 -0.603 . . . . 99.989999999999995 109.372 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 4' ' ' TYR . 33.0 mm -144.96 140.0 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.404 ' N ' HG21 ' A' ' 3' ' ' ILE . 94.6 m-85 -131.18 105.5 7.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.069 -0.969 . . . . 99.989999999999995 109.85 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 11' ' ' TYR . 69.9 t -108.77 128.22 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.44 ' SG ' ' CE1' ' A' ' 36' ' ' PHE . 6.2 t -57.76 141.23 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 108.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 71.3 p -103.56 20.25 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.387 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.4 t -114.95 -51.57 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 99.989999999999995 109.362 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 p -108.17 -22.04 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 108.267 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.94 5.53 59.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 110.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.462 ' O ' ' CG1' ' A' ' 5' ' ' VAL . 11.3 t80 -41.89 161.29 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.024 -0.588 . . . . 99.989999999999995 109.802 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -126.49 136.41 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.283 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.456 ' CE1' ' CH2' ' A' ' 24' ' ' TRP . 42.5 t80 -116.19 154.25 30.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.03 -0.986 . . . . 99.989999999999995 109.848 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -136.13 88.03 22.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.297 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 33.0 Cg_exo -36.29 127.11 0.4 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 124.307 3.338 . . . . 99.989999999999995 109.544 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 163.1 -29.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.319 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -54.41 -174.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -127.61 -57.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 110.28 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.95 95.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 109.362 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.47 81.98 66.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.264 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.18 172.76 12.48 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.308 3.339 . . . . 99.989999999999995 109.683 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -94.24 53.22 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 109.293 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -179.57 56.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CH2' ' CE1' ' A' ' 13' ' ' TYR . 2.0 t90 -97.41 136.11 38.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 108.022 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -128.31 139.86 52.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' GLY . 5.5 t -48.65 107.38 0.75 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 99.989999999999995 108.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.22 -18.97 1.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.291 3.327 . . . . 99.989999999999995 109.594 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -85.02 -90.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.351 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.9 p -59.32 -46.9 87.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 108.34 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . 114.04 -16.38 20.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 111.035 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.17 160.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 99.989999999999995 109.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.404 ' OG ' ' OD1' ' A' ' 34' ' ' ASP . 92.4 p -69.08 173.55 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.019 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.59 15.0 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 26.7 p-10 -86.3 -22.68 26.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.297 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.446 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -82.27 -6.86 59.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.313 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CE1' ' SG ' ' A' ' 6' ' ' CYS . 5.0 m-85 -83.17 137.84 33.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 99.989999999999995 110.948 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -153.66 153.02 31.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.248 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -44.37 141.12 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.293 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.305 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.6 t0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.263 -0.643 . . . . 99.989999999999995 109.263 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.7 mt -149.72 142.39 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 99.989999999999995 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -126.75 102.89 7.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.977 -1.011 . . . . 99.989999999999995 109.758 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 11' ' ' TYR . 33.6 t -109.42 130.06 63.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -65.1 147.4 53.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 108.343 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 77.7 p -107.27 16.02 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 110.416 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.79 -50.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 p -108.0 -25.03 11.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 108.274 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.91 15.23 53.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 110.939 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.501 ' O ' ' CG1' ' A' ' 5' ' ' VAL . 26.2 t80 -53.06 160.25 1.04 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.044 -0.578 . . . . 99.989999999999995 109.825 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG2' ' CG2' ' A' ' 5' ' ' VAL . 5.5 mt-10 -126.06 131.97 52.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.236 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -112.67 159.47 18.87 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.955 -1.02 . . . . 99.989999999999995 109.836 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.07 90.6 25.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.064 . . . . 99.989999999999995 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -36.11 94.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.289 3.326 . . . . 99.989999999999995 109.606 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' CD1' ' A' ' 17' ' ' PHE . . . -177.25 70.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 109.309 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 13.5 m-85 -149.69 -171.03 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.943 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -138.52 55.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 110.296 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.94 93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.333 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tt -136.03 83.32 34.17 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -83.64 177.29 6.38 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 124.29 3.327 . . . . 99.989999999999995 109.626 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -93.62 55.84 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 99.989999999999995 109.266 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -178.25 60.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.317 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.6 t90 -100.83 139.1 37.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 107.999 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -125.14 137.58 54.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.237 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 1.3 t -53.19 133.87 50.92 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 108.265 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 71.2 Cg_endo -72.89 -0.57 9.18 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.241 3.294 . . . . 99.989999999999995 109.604 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.4 t -113.8 -92.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 109.337 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 27.5 p -45.59 -44.14 12.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 108.297 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 88.16 33.2 10.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 111.013 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.28 162.8 13.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 99.989999999999995 109.291 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' LYS . 77.5 p -69.58 152.27 44.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.922 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ALA . 13.3 tmtt? -40.13 -51.09 2.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.288 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -46.37 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.271 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 34' ' ' ASP . . . 161.7 -28.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 99.989999999999995 109.267 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -76.39 140.82 41.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.943 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.77 148.18 33.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.258 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -52.63 139.67 25.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 109.221 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.281 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.327 -0.62 . . . . 99.989999999999995 109.327 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 mt -140.07 142.35 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.26 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 71.17 0.75 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.977 -1.01 . . . . 99.989999999999995 109.844 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.0 t -76.42 117.32 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.4 t -55.05 152.94 7.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 108.291 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 16.6 p -110.96 14.7 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.403 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.61 -53.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 99.989999999999995 109.352 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.08 -19.4 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.362 1.039 . . . . 99.989999999999995 108.314 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.22 10.92 60.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.928 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -39.67 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 118.871 -0.585 . . . . 99.989999999999995 109.841 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -127.13 111.45 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.314 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' CE1' ' A' ' 17' ' ' PHE . 74.6 t80 -101.49 158.95 15.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.009 -0.996 . . . . 99.989999999999995 109.826 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.63 91.84 24.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.286 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 10.9 Cg_exo -34.6 103.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.348 3.365 . . . . 99.989999999999995 109.582 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 163.66 69.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.276 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CE1' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m-85 -137.19 -172.15 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 111.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 2.0 tt0 -133.24 123.92 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER 80.83 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 109.239 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -119.94 82.55 28.62 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.29 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -47.58 168.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.396 3.398 . . . . 99.989999999999995 109.576 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.77 37.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.303 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.85 60.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.262 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -88.79 139.77 30.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.997 -1.112 . . . . 99.989999999999995 107.997 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.54 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.28 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 42.8 t -48.57 133.66 13.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 108.345 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.77 -0.88 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.33 3.353 . . . . 99.989999999999995 109.599 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.21 -93.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.335 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.4 p -46.4 -45.18 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 108.267 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.14 -6.29 53.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 111.039 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 163.93 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 99.989999999999995 109.282 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.6 p -75.86 173.82 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.82 50.11 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.284 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -112.86 -52.44 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.289 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -59.27 -24.34 63.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.273 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -62.45 133.83 55.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 99.989999999999995 111.007 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -120.77 147.66 45.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 110.319 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 98.34 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.3 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.327 -0.62 . . . . 99.989999999999995 109.327 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 mt -140.07 142.35 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.26 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 71.17 0.75 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.977 -1.01 . . . . 99.989999999999995 109.844 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.0 t -76.42 117.32 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.4 t -55.05 152.94 7.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 108.291 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 16.6 p -110.96 14.7 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.403 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.61 -53.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 99.989999999999995 109.352 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.08 -19.4 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.362 1.039 . . . . 99.989999999999995 108.314 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.22 10.92 60.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.928 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -39.67 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 118.871 -0.585 . . . . 99.989999999999995 109.841 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -127.13 111.45 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.314 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' CE1' ' A' ' 17' ' ' PHE . 74.6 t80 -101.49 158.95 15.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.009 -0.996 . . . . 99.989999999999995 109.826 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.63 91.84 24.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.286 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 10.9 Cg_exo -34.6 103.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.348 3.365 . . . . 99.989999999999995 109.582 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 163.66 69.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.276 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CE1' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m-85 -137.19 -172.15 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 111.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 2.0 tt0 -133.24 123.92 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER 80.83 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 109.239 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -119.94 82.55 28.62 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.29 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -47.58 168.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.396 3.398 . . . . 99.989999999999995 109.576 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.77 37.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.303 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.85 60.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.262 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -88.79 139.77 30.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.997 -1.112 . . . . 99.989999999999995 107.997 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.54 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.28 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 42.8 t -48.57 133.66 13.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 108.345 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.77 -0.88 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.33 3.353 . . . . 99.989999999999995 109.599 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.21 -93.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.335 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.4 p -46.4 -45.18 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 108.267 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.14 -6.29 53.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 111.039 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 163.93 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 99.989999999999995 109.282 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.6 p -75.86 173.82 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.82 50.11 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.284 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -112.86 -52.44 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -59.27 -24.34 63.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.273 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -62.45 133.83 55.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 99.989999999999995 111.007 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -120.77 147.66 45.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 110.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 98.34 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.3 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.382 -0.599 . . . . 99.989999999999995 109.382 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.462 ' CG2' HG22 ' A' ' 5' ' ' VAL . 76.8 mt -146.82 143.81 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.234 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -126.44 85.07 2.34 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.016 -0.993 . . . . 99.989999999999995 109.8 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.462 HG22 ' CG2' ' A' ' 3' ' ' ILE . 45.2 t -95.86 119.55 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.612 1.195 . . . . 99.989999999999995 109.276 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 t -54.46 149.62 10.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 108.301 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 31.1 p -109.65 17.98 20.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.413 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -113.85 -51.39 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.235 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 p -108.86 -19.99 13.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 108.299 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.05 19.99 51.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 111.014 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -52.46 154.5 2.51 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.015 -0.593 . . . . 99.989999999999995 109.858 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.21 131.88 56.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.049 . . . . 99.989999999999995 110.362 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 85.6 t80 -118.46 166.87 12.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.056 -0.974 . . . . 99.989999999999995 109.841 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 2.8 t70 -140.79 139.72 20.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.429 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 95.3 Cg_endo -72.25 94.42 0.74 Allowed 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 124.31 3.34 . . . . 99.989999999999995 109.574 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 168.51 70.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.272 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -138.56 166.65 23.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 111.016 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -73.95 69.48 1.43 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 110.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.73 168.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 99.989999999999995 109.32 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 tp -111.64 140.83 23.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.272 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -82.41 174.85 9.5 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.255 3.303 . . . . 99.989999999999995 109.595 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -100.86 49.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.275 -179.837 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 5.2 m-20 162.12 74.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -103.9 133.11 49.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 108.013 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.83 139.65 53.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.268 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.8 t -53.32 132.65 52.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 108.378 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -72.15 -1.97 10.89 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.263 3.309 . . . . 99.989999999999995 109.608 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.1 t -108.88 -91.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.272 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.6 p -50.29 -50.38 50.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 108.279 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 108.25 -11.43 36.83 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.987 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.69 163.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 99.989999999999995 109.311 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.2 p -73.42 172.11 11.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 110.049 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -85.48 48.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.253 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -106.11 -47.69 3.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 109.255 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 34' ' ' ASP . . . -66.61 -16.6 64.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.497 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 20.8 m-85 -64.25 132.67 50.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 111.006 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -109.85 149.36 29.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.311 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.91 86.6 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.232 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.272 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.499 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.319 -0.623 . . . . 99.989999999999995 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 4' ' ' TYR . 14.3 mt -136.79 137.78 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 109.314 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.414 ' N ' HG21 ' A' ' 3' ' ' ILE . 67.5 m-85 -107.23 96.05 6.14 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.989 -1.005 . . . . 99.989999999999995 109.842 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.19 115.78 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.248 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.9 t -54.43 152.15 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 108.361 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 11.3 p -110.9 12.41 22.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.394 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.5 t -107.3 -53.76 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.357 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.8 -20.18 13.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 108.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 94.45 7.34 60.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.424 1.078 . . . . 99.989999999999995 110.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' GLY . 16.1 t80 -39.46 154.8 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.803 -0.617 . . . . 99.989999999999995 109.879 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.55 124.38 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 110.27 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 56.0 t80 -125.77 161.9 26.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.947 -1.024 . . . . 99.989999999999995 109.825 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.598 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 2.5 t70 -128.75 140.98 40.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.285 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.499 ' CD ' ' O ' ' A' ' 2' ' ' ASP . 91.7 Cg_endo -78.78 100.49 1.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.298 3.332 . . . . 99.989999999999995 109.584 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 165.3 68.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.246 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -148.12 -172.12 3.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 111.007 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.38 59.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 179.49 94.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.323 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.04 78.75 15.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.349 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.74 168.61 20.81 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.293 3.329 . . . . 99.989999999999995 109.591 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.27 37.28 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.237 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -160.83 48.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 109.34 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -95.78 142.43 28.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 107.975 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -130.91 135.22 47.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 99.989999999999995 109.277 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' GLY . 6.2 t -46.35 106.04 0.53 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 108.321 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -46.22 -20.43 0.86 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.296 3.331 . . . . 99.989999999999995 109.634 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 26' ' ' CYS . 96.5 t -83.63 -90.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 99.989999999999995 109.267 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.6 p -60.52 -47.7 85.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 108.311 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . 114.41 -15.63 20.03 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.923 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.32 158.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 0.791 . . . . 99.989999999999995 109.336 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -72.9 167.81 20.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 109.984 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.12 48.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.304 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -117.47 -46.0 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 99.989999999999995 109.293 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -61.74 -21.69 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.282 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -61.84 133.52 55.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.951 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -108.7 140.74 41.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 110.327 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.98 86.52 4.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.282 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 110.329 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.343 -0.614 . . . . 99.989999999999995 109.343 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mt -135.32 134.68 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 99.989999999999995 109.331 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.684 ' CD1' ' CG ' ' A' ' 15' ' ' PRO . 2.8 m-85 -114.55 81.93 1.64 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.039 -0.982 . . . . 99.989999999999995 109.887 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.5 t -86.65 118.4 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.29 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 t -58.86 150.12 24.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 108.316 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 22.4 p -109.39 16.99 21.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.403 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.8 t -112.18 -53.74 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.296 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.79 -20.06 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 108.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.67 9.61 59.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.976 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -39.43 148.58 0.06 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.029 -0.586 . . . . 99.989999999999995 109.888 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -120.16 114.77 22.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 110.328 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -125.8 161.12 28.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.005 -0.998 . . . . 99.989999999999995 109.845 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.85 90.08 28.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.235 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.684 ' CG ' ' CD1' ' A' ' 4' ' ' TYR . 11.9 Cg_exo -34.59 109.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.313 3.342 . . . . 99.989999999999995 109.608 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 172.81 69.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.347 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -141.21 -166.89 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 111.013 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -119.03 -53.98 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 110.355 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.17 99.93 8.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.223 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 tt -135.17 82.82 40.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.22 171.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.37 3.38 . . . . 99.989999999999995 109.567 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.57 38.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 109.216 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.0 50.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.276 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.6 137.59 57.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 108.038 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.75 137.37 51.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.311 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 44.1 t -50.41 133.59 25.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 108.334 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 77.2 Cg_endo -72.56 -0.67 9.15 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.284 3.323 . . . . 99.989999999999995 109.645 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -114.02 -93.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.301 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.8 p -47.37 -45.47 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 108.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.78 -6.16 51.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 111.066 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.64 164.23 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 0.766 . . . . 99.989999999999995 109.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.6 p -81.03 176.91 9.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 110.037 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 50.3 1.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -115.46 -43.19 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 99.989999999999995 109.245 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -69.81 -25.29 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.334 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -64.4 133.66 53.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 111.034 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -143.76 132.22 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 137.23 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.241 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.313 -0.625 . . . . 99.989999999999995 109.313 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mt -140.87 146.76 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 109.282 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -120.74 80.98 1.7 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.969 -1.014 . . . . 99.989999999999995 109.889 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 12' ' ' GLU . 54.1 t -87.37 115.02 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.263 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.2 t -48.06 151.73 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 108.263 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 23.3 p -110.21 16.75 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.387 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 t -112.8 -53.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 109.316 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 p -108.77 -20.55 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.382 1.051 . . . . 99.989999999999995 108.314 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 92.89 10.28 60.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 110.981 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLY . 12.7 t80 -39.97 157.32 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.984 -0.608 . . . . 99.989999999999995 109.865 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HG2' ' CG2' ' A' ' 5' ' ' VAL . 5.6 mt-10 -124.12 126.49 46.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 110.279 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.589 ' OH ' ' CD1' ' A' ' 17' ' ' PHE . 34.4 t80 -108.03 154.97 20.89 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.994 -1.003 . . . . 99.989999999999995 109.845 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -133.64 84.88 43.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.316 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -34.94 105.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.278 3.319 . . . . 99.989999999999995 109.647 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.98 34.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.266 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.589 ' CD1' ' OH ' ' A' ' 13' ' ' TYR . 41.6 p90 -105.83 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.989 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -129.36 118.2 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 110.287 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 46.27 88.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.487 ' HB2' ' CD2' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -90.71 145.88 33.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.285 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 20' ' ' LEU . 35.9 Cg_endo -60.18 171.29 3.22 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.313 3.342 . . . . 99.989999999999995 109.558 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -104.57 56.19 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.313 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 172.79 70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.305 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 7.4 t90 -94.65 141.53 28.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 107.95 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.57 137.76 52.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.353 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 4.4 t -55.73 132.43 72.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 108.264 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -70.7 -2.15 10.39 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.309 3.339 . . . . 99.989999999999995 109.613 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.27 -92.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.316 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.8 p -49.75 -49.7 47.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 108.319 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 108.85 -10.88 34.82 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 111.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.03 164.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 0.806 . . . . 99.989999999999995 109.26 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.8 p -86.19 176.03 8.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.979 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -76.64 55.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 109.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -115.44 -49.75 2.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -69.48 -24.99 63.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -60.41 133.13 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 111.038 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -126.82 151.68 47.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.28 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.61 105.1 15.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 109.341 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.238 -0.653 . . . . 99.989999999999995 109.238 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 mt -138.42 140.47 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.246 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -117.15 95.34 4.94 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.995 -1.002 . . . . 99.989999999999995 109.82 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -93.88 121.52 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.318 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.7 t -55.78 152.41 9.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 108.25 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 22.0 p -110.38 15.58 22.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 110.443 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.4 t -111.53 -53.11 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.362 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -109.93 -19.1 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 108.321 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.88 9.49 60.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.088 . . . . 99.989999999999995 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -40.06 157.72 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.008 -0.596 . . . . 99.989999999999995 109.857 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -127.82 112.88 15.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.403 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 66.3 t80 -97.43 157.03 16.21 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.03 -0.987 . . . . 99.989999999999995 109.809 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' ALA . 9.6 t70 -134.18 90.81 24.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' ASP . 11.4 Cg_exo -34.41 93.97 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.313 3.342 . . . . 99.989999999999995 109.588 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 172.8 68.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.336 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -136.69 -172.63 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 111.076 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 4.7 tt0 -128.66 123.47 33.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.283 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER 74.94 98.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.352 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tt -121.97 83.68 44.2 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.314 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.52 171.92 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.271 3.314 . . . . 99.989999999999995 109.62 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.14 42.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.298 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.12 49.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.403 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 6.4 t90 -85.14 141.92 29.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 108.016 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -131.32 134.96 46.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 99.989999999999995 109.335 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 30' ' ' GLY . 5.7 t -46.7 106.26 0.56 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 108.334 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -46.51 -20.03 0.86 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.224 3.283 . . . . 99.989999999999995 109.651 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' CYS . 96.9 t -84.14 -90.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 109.298 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.6 p -60.15 -46.9 88.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 108.346 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . 113.21 -15.37 22.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 111.011 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.0 161.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 99.989999999999995 109.263 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 p -76.13 170.26 16.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.964 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 47.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.274 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -116.29 -41.63 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.285 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -66.37 -21.96 66.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.285 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -63.15 136.04 57.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 99.989999999999995 111.028 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.99 152.25 39.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 110.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -57.54 127.09 30.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.248 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.364 -0.606 . . . . 99.989999999999995 109.364 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 mt -138.81 140.09 39.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.327 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -115.88 87.64 2.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.0 -1.0 . . . . 99.989999999999995 109.862 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.4 t -92.09 123.2 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.215 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.2 t -58.64 154.17 14.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 108.303 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 14.3 p -111.43 13.66 21.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.388 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.16 -52.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.266 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -109.08 -19.19 13.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 108.335 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.58 12.13 61.38 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 110.978 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -41.03 157.66 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.974 -0.613 . . . . 99.989999999999995 109.882 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -128.52 113.79 15.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.301 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -102.62 161.68 13.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.003 -0.999 . . . . 99.989999999999995 109.785 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -136.99 93.06 13.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.316 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -34.63 97.49 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.342 3.361 . . . . 99.989999999999995 109.598 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.53 67.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.316 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.57 -163.65 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 110.949 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.02 -62.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 110.326 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.04 104.53 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -122.3 83.67 46.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 109.273 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.7 -176.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 124.378 3.385 . . . . 99.989999999999995 109.586 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -110.5 48.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -171.58 55.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -88.97 138.95 30.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 108.022 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -127.77 134.68 49.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.343 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' GLY . 4.7 t -47.5 106.97 0.65 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 108.222 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -47.57 -19.89 1.45 Allowed 'Trans proline' 0 N--CA 1.446 -1.297 0 C-N-CA 124.31 3.34 . . . . 99.989999999999995 109.618 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -83.66 -89.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 99.989999999999995 109.269 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 9.4 p -61.27 -48.69 80.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 108.219 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . 116.48 -17.66 13.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 111.012 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.72 156.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 99.989999999999995 109.268 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 p -68.73 176.82 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.187 . . . . 99.989999999999995 110.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -90.5 38.29 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.289 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -101.34 -53.81 2.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 109.249 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.42 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -56.47 -22.49 32.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 26.1 m-85 -60.68 134.84 57.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.969 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.19 145.85 29.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.238 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -61.39 119.26 8.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 109.319 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 99.989999999999995 110.302 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.346 -0.613 . . . . 99.989999999999995 109.346 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.1 mt -137.14 142.94 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 99.989999999999995 109.269 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.402 ' HD2' ' CD1' ' A' ' 13' ' ' TYR . 63.6 m-85 -124.81 87.42 2.71 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.979 -1.01 . . . . 99.989999999999995 109.79 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 78.6 t -98.68 120.26 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 109.369 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.1 t -50.95 150.25 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 108.305 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 45.8 p -107.49 21.75 17.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.354 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -117.93 -52.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.241 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -108.61 -24.28 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 108.297 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.84 18.14 45.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.973 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.674 ' CE2' ' CG ' ' A' ' 27' ' ' PRO . 18.8 t80 -49.89 160.53 0.31 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.98 -0.61 . . . . 99.989999999999995 109.82 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -121.92 132.87 54.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.289 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 1.3 t80 -118.59 150.28 39.94 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.975 -1.011 . . . . 99.989999999999995 109.876 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.592 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 1.4 t70 -117.68 142.86 31.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 99.989999999999995 109.338 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -81.14 70.33 7.53 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 124.311 3.34 . . . . 99.989999999999995 109.566 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.91 69.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.284 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -138.07 168.06 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.969 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.52 56.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 110.293 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.27 94.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.287 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -128.11 81.17 70.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.23 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -65.34 177.21 2.74 Favored 'Trans proline' 0 N--CA 1.446 -1.318 0 C-N-CA 124.383 3.389 . . . . 99.989999999999995 109.615 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -103.54 42.02 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.282 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.65 50.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -90.43 138.44 31.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 108.009 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.65 136.54 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 109.303 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.424 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -42.75 136.83 2.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.378 1.049 . . . . 99.989999999999995 108.246 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.674 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 98.5 Cg_endo -69.38 -5.26 15.53 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.314 3.343 . . . . 99.989999999999995 109.587 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t -112.97 -93.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.324 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 23.9 p -44.34 -51.46 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 108.311 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.43 -11.55 39.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.972 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.81 164.49 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 0.757 . . . . 99.989999999999995 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.7 p -74.38 175.44 7.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.953 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 48.81 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.27 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -113.32 -33.65 5.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.249 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -89.77 42.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.236 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -120.77 138.96 53.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.988 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -163.89 153.1 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.355 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -50.68 135.45 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.351 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.273 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.315 -0.624 . . . . 99.989999999999995 109.315 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.454 ' CG2' HG22 ' A' ' 5' ' ' VAL . 1.2 mp -154.78 142.16 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 99.989999999999995 109.333 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.41 ' N ' HG22 ' A' ' 3' ' ' ILE . 52.9 m-85 -128.13 90.54 3.1 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.991 -1.004 . . . . 99.989999999999995 109.859 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 3' ' ' ILE . 57.7 t -102.64 120.6 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.28 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.58 157.17 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 99.989999999999995 108.312 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 5.9 p -114.59 2.71 14.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 110.436 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.1 t -96.16 -51.07 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.294 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.36 -22.91 12.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 108.277 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.37 19.11 46.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 111.065 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -50.68 158.35 0.66 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.985 -0.607 . . . . 99.989999999999995 109.864 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.9 130.5 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 60.1 t80 -117.15 153.38 32.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.027 -0.988 . . . . 99.989999999999995 109.912 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -131.34 90.55 37.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.438 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 13.3 Cg_exo -35.08 116.61 0.11 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.3 3.333 . . . . 99.989999999999995 109.6 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 167.24 69.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.24 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.95 -162.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 111.022 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -134.39 -50.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 110.327 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.96 94.34 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.07 . . . . 99.989999999999995 109.338 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.05 80.7 71.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.309 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.4 -176.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.336 3.357 . . . . 99.989999999999995 109.625 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -106.42 54.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.316 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.7 61.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 2.4 t90 -92.84 139.95 30.01 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.958 -1.127 . . . . 99.989999999999995 107.958 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.8 135.9 53.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.229 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.432 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 3.2 t -54.98 132.9 67.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 108.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -71.09 -2.08 10.56 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.314 3.343 . . . . 99.989999999999995 109.629 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.55 -91.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.291 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.7 p -49.75 -49.34 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 108.317 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.81 -11.08 38.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.951 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.85 165.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 99.989999999999995 109.278 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.428 ' OG ' ' CG ' ' A' ' 34' ' ' ASP . 5.1 p -73.04 178.18 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.003 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -15.67 62.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 99.989999999999995 109.308 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 24.5 p30 -71.8 -15.1 62.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -76.01 -8.86 57.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -97.75 142.62 29.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.409 1.068 . . . . 99.989999999999995 111.017 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -115.7 116.36 27.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.424 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.85 127.38 29.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.241 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 110.283 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.278 -0.638 . . . . 99.989999999999995 109.278 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 4' ' ' TYR . 44.9 mt -136.19 138.96 46.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 38' ' ' LYS . 49.3 m-85 -120.06 87.42 2.74 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.032 -0.985 . . . . 99.989999999999995 109.816 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.9 t -95.93 128.76 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.32 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 t -67.29 148.21 51.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 108.293 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 58.5 p -107.67 19.08 20.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.394 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -113.56 -51.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 p -108.36 -25.23 11.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 108.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.88 22.58 35.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 110.955 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -60.97 166.2 3.64 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.006 -0.597 . . . . 99.989999999999995 109.826 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -129.0 133.69 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.237 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 62.8 t80 -114.08 167.52 10.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.963 -1.017 . . . . 99.989999999999995 109.865 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.418 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 4.6 t0 -140.16 92.59 9.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.313 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -34.63 99.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.291 3.327 . . . . 99.989999999999995 109.645 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.11 70.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.345 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.81 173.77 11.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 111.028 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -35.49 77.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.346 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.88 -175.94 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.261 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.83 83.85 9.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.9 175.91 0.11 Allowed 'Trans proline' 0 N--CA 1.449 -1.128 0 C-N-CA 124.287 3.325 . . . . 99.989999999999995 109.573 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.63 58.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 109.287 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 176.88 60.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.247 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -102.23 134.89 44.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 108.004 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.03 138.76 53.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.314 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -54.23 134.34 60.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 108.348 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 70.9 Cg_endo -72.72 -1.11 9.87 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.343 3.362 . . . . 99.989999999999995 109.643 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.4 t -114.1 -93.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.313 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.0 p -44.56 -44.21 8.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 108.297 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 87.61 33.71 11.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 111.05 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.69 161.88 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 99.989999999999995 109.392 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' LYS . 6.8 p -70.39 153.41 43.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.984 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ALA . 2.4 tmtt? -39.49 -47.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 109.392 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.531 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 1.3 p30 -48.76 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.303 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 34' ' ' ASP . . . 161.29 -27.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -77.18 138.72 39.63 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 111.008 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -116.09 143.76 45.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 99.989999999999995 110.322 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -86.56 91.12 8.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 99.989999999999995 109.262 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.296 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.627 . . . . 99.989999999999995 109.306 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 mp -156.72 140.9 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.3 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.46 ' CD2' ' HG3' ' A' ' 15' ' ' PRO . 35.3 m-85 -115.04 89.94 3.22 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.987 -1.006 . . . . 99.989999999999995 109.853 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.0 t -96.38 118.55 42.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.337 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.1 t -58.49 150.44 22.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 108.317 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 32.0 p -109.71 17.47 21.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.439 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -112.45 -52.61 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.325 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.33 -21.82 12.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 108.332 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.39 21.54 40.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.954 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -54.1 152.56 5.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.978 -0.611 . . . . 99.989999999999995 109.82 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.44 125.5 48.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.316 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -116.88 167.63 10.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.016 -0.993 . . . . 99.989999999999995 109.799 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -139.54 90.98 11.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 109.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 26.9 Cg_exo -36.41 114.31 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 99.989999999999995 109.577 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 164.37 71.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.31 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.08 166.77 25.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.961 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.74 -174.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.292 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -41.55 111.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 99.989999999999995 109.331 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD2' ' HD2' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -72.77 147.24 88.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 109.258 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.474 ' HD2' ' CD2' ' A' ' 20' ' ' LEU . 87.1 Cg_endo -80.7 176.61 8.89 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.243 3.295 . . . . 99.989999999999995 109.588 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -110.53 58.89 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.302 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 164.42 74.26 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.357 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -103.62 133.62 48.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 108.006 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.57 139.87 52.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.302 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.419 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.9 t -53.84 132.56 57.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 108.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.17 -2.92 11.9 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.341 3.361 . . . . 99.989999999999995 109.584 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.9 t -108.51 -92.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.308 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.5 p -48.57 -50.89 30.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 99.989999999999995 108.293 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.99 -10.77 37.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.966 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.14 163.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 99.989999999999995 109.28 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.0 p -75.96 170.8 15.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 99.989999999999995 110.065 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -82.15 52.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.318 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -115.89 -37.89 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.301 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -73.85 -18.5 60.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.298 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -64.97 133.58 52.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 111.024 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -140.09 140.39 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.29 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -65.23 140.32 58.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.373 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 99.989999999999995 110.3 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.249 -0.649 . . . . 99.989999999999995 109.249 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -138.36 143.0 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.334 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.549 ' CD2' ' HG3' ' A' ' 15' ' ' PRO . 39.3 m-85 -115.78 97.7 6.27 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.029 -0.987 . . . . 99.989999999999995 109.824 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -108.3 114.31 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.333 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.409 ' SG ' ' CE1' ' A' ' 36' ' ' PHE . 3.5 t -60.0 153.65 20.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 99.989999999999995 108.29 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 39.1 p -109.44 10.73 25.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.387 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.498 ' CG1' ' SG ' ' A' ' 29' ' ' CYS . 3.4 p -117.25 7.05 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 6' ' ' CYS . 6.5 p -164.69 -42.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 108.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 102.58 9.6 40.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.414 1.071 . . . . 99.989999999999995 110.992 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.446 ' CE2' ' CG ' ' A' ' 27' ' ' PRO . 18.0 t80 -39.13 156.48 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.034 -0.583 . . . . 99.989999999999995 109.84 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.78 118.09 21.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 110.35 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -119.14 160.36 22.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.967 -1.015 . . . . 99.989999999999995 109.811 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -123.98 96.81 41.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.264 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.549 ' HG3' ' CD2' ' A' ' 4' ' ' TYR . 25.7 Cg_exo -35.8 110.63 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 124.271 3.314 . . . . 99.989999999999995 109.633 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -179.61 48.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.297 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.45 -160.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 99.989999999999995 110.969 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -145.62 -62.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.328 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -45.95 -69.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.319 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' ASP . 0.8 OUTLIER 39.0 85.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.297 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.03 167.2 23.87 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 124.297 3.331 . . . . 99.989999999999995 109.611 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.15 52.86 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.318 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t0 173.91 56.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.301 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -87.41 140.36 29.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 108.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 31' ' ' ALA . . . -124.44 139.75 53.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.47 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -46.99 140.85 6.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 108.303 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.446 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 41.6 Cg_endo -81.67 13.07 2.55 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.362 3.375 . . . . 99.989999999999995 109.517 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 t -131.73 -73.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.341 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 29.0 p -64.48 -40.66 96.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.604 1.19 . . . . 99.989999999999995 108.292 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.07 33.63 25.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 111.012 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -95.24 152.91 17.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 99.989999999999995 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' LYS . 23.8 p -61.32 145.29 51.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' ALA . 11.3 ttmm -40.16 -45.82 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 1.9 p30 -50.15 92.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' ASP . . . 161.61 -28.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 99.989999999999995 109.23 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.409 ' CE1' ' SG ' ' A' ' 6' ' ' CYS . 19.5 m-85 -70.27 140.86 52.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 99.989999999999995 110.924 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -129.05 122.77 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.284 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -62.03 114.9 3.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.331 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.238 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.239 -0.652 . . . . 99.989999999999995 109.239 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 mt -136.04 132.85 50.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.296 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.488 ' CD1' ' CG ' ' A' ' 15' ' ' PRO . 2.5 m-85 -116.8 83.33 1.95 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.044 -0.98 . . . . 99.989999999999995 109.82 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.0 t -92.66 119.9 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.269 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.18 149.9 31.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 108.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 24.6 p -109.43 14.91 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.371 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.6 t -109.77 -51.67 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -108.55 -22.01 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 108.216 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.35 9.32 60.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 111.006 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -40.82 155.87 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.986 -0.607 . . . . 99.989999999999995 109.855 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.3 132.45 52.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 110.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -145.34 164.14 32.38 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.056 -0.975 . . . . 99.989999999999995 109.84 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -137.95 90.08 14.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.287 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.488 ' CG ' ' CD1' ' A' ' 4' ' ' TYR . 12.1 Cg_exo -34.67 97.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 99.989999999999995 109.596 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.76 70.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 99.989999999999995 109.341 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.25 178.49 6.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.994 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.14 -72.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.332 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -136.87 158.46 44.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.32 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.435 ' CD2' ' HD2' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -118.05 142.37 30.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.339 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HD2' ' CD2' ' A' ' 20' ' ' LEU . 32.3 Cg_endo -85.42 174.0 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.314 3.343 . . . . 99.989999999999995 109.616 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.11 43.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.34 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 176.29 55.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.318 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -81.73 136.09 35.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 108.076 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.08 138.87 52.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 4.3 t -53.11 132.43 50.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 99.989999999999995 108.289 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.63 -1.86 10.47 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.35 3.367 . . . . 99.989999999999995 109.622 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.22 -92.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.069 . . . . 99.989999999999995 109.269 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.1 p -49.64 -49.61 46.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 108.285 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.42 -9.95 38.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 111.042 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.09 163.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.61 0.829 . . . . 99.989999999999995 109.34 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -78.15 172.72 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.984 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -82.12 52.17 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.281 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -115.42 -39.41 3.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 109.346 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -74.64 -18.52 60.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.374 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -64.86 133.79 52.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 111.005 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -142.0 138.61 31.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.297 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -64.26 128.11 34.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.298 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.314 -0.624 . . . . 99.989999999999995 109.314 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.409 ' CG2' HG22 ' A' ' 5' ' ' VAL . 1.2 mp -147.21 146.6 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 109.297 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -119.81 76.68 1.17 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.012 -0.995 . . . . 99.989999999999995 109.868 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.454 ' CG2' ' HG2' ' A' ' 12' ' ' GLU . 73.2 t -83.99 115.51 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 t -48.57 150.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 108.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 23.3 p -108.79 19.23 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.424 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 t -115.43 -53.34 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.277 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.4 p -108.91 -22.01 12.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 108.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.62 10.24 58.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.946 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CZ ' ' CG ' ' A' ' 27' ' ' PRO . 14.4 t80 -40.25 158.64 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 118.868 -0.586 . . . . 99.989999999999995 109.853 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG2' ' CG2' ' A' ' 5' ' ' VAL . 2.3 mt-10 -126.26 125.56 42.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.272 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -102.1 160.67 14.31 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.002 -0.999 . . . . 99.989999999999995 109.816 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' ALA . 9.2 t70 -134.21 86.87 35.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 99.989999999999995 109.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' ASP . 11.7 Cg_exo -34.05 93.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.338 3.359 . . . . 99.989999999999995 109.548 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 177.77 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.325 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.24 -174.57 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.996 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -146.53 56.86 1.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.247 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' LEU . 9.8 t0 178.14 -67.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.237 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER 38.36 81.05 0.25 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.292 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.12 176.54 0.99 Allowed 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 124.276 3.317 . . . . 99.989999999999995 109.564 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.45 39.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.282 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -171.53 51.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.278 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.7 t90 -79.98 142.85 34.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 107.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.35 138.09 52.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.328 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.485 ' SG ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 t -53.04 133.04 49.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 108.242 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.583 ' CG ' ' CZ ' ' A' ' 11' ' ' TYR . 77.3 Cg_endo -70.45 -3.04 11.66 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.315 3.344 . . . . 99.989999999999995 109.595 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.12 -92.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.287 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.4 p -48.64 -51.83 26.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 108.281 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 109.54 -11.77 33.01 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 111.008 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.44 161.81 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 99.989999999999995 109.352 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 p -74.3 170.01 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -80.92 53.25 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.287 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -112.9 -51.12 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.312 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.41 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -61.31 -21.68 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 99.989999999999995 109.268 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 32.9 m-85 -61.11 133.98 56.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 99.989999999999995 110.99 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.69 146.15 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -78.74 97.78 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.264 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 110.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.417 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 4.9 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.553 0.216 . . . . 99.989999999999995 111.018 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 2.0 p-10 164.8 56.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.463 ' CG2' HG22 ' A' ' 5' ' ' VAL . 30.3 mm -148.98 143.0 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -125.93 78.81 1.78 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.025 -0.988 . . . . 99.989999999999995 109.806 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.463 HG22 ' CG2' ' A' ' 3' ' ' ILE . 54.7 t -90.75 118.58 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.521 ' SG ' ' CE1' ' A' ' 36' ' ' PHE . 8.9 t -50.86 146.61 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 108.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 79.6 p -106.6 20.57 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.41 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.2 t -115.33 -51.87 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.48 -21.48 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 108.307 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.44 23.49 33.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -54.13 162.58 0.98 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.02 -0.59 . . . . 99.989999999999995 109.814 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' CG ' HG21 ' A' ' 5' ' ' VAL . 1.7 tt0 -124.93 127.12 46.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.516 ' OH ' ' CD2' ' A' ' 17' ' ' PHE . 36.4 t80 -141.08 150.16 42.56 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.009 -0.996 . . . . 99.989999999999995 109.815 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.49 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -118.41 139.93 27.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.45 ' CD ' ' O ' ' A' ' 2' ' ' ASP . 64.8 Cg_endo -79.78 70.42 7.52 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.302 3.335 . . . . 99.989999999999995 109.647 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.64 38.61 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.27 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 19.4 p90 -102.91 -171.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.963 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -135.37 -45.34 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.266 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -105.82 95.6 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.307 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -115.89 86.89 17.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.251 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 20' ' ' LEU . 71.4 Cg_exo -47.23 174.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.3 3.334 . . . . 99.989999999999995 109.563 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.97 57.45 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.273 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t0 173.54 71.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -108.17 130.71 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 108.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.36 139.45 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 2.0 t -50.12 135.29 22.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 108.319 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 89.2 Cg_endo -83.26 19.56 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.309 3.34 . . . . 99.989999999999995 109.598 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.48 -73.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 109.304 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -70.63 -32.65 70.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 108.32 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.29 -12.77 67.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.998 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.09 160.21 2.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 99.989999999999995 109.292 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.8 p -68.36 165.05 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 110.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 46.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -108.25 -31.8 7.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.348 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -78.85 -2.73 41.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 109.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CE1' ' SG ' ' A' ' 6' ' ' CYS . 6.7 m-85 -79.62 134.95 36.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 111.043 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LYS . 2.8 tt0 -165.46 150.99 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.288 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 1' ' ' MET . 4.1 ttpt -40.05 139.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.484 0.183 . . . . 99.989999999999995 110.98 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 51.54 98.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.148 . . . . 99.989999999999995 109.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 mm -141.85 140.86 30.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 109.261 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -120.2 83.77 2.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.954 -1.021 . . . . 99.989999999999995 109.843 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 11' ' ' TYR . 61.1 t -88.43 119.15 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.6 t -48.71 148.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 108.262 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 22.5 p -107.4 17.03 23.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.389 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 t -112.22 -52.1 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 99.989999999999995 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.4 p -107.84 -25.05 11.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.619 1.199 . . . . 99.989999999999995 108.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.75 15.24 46.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 111.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CE2' ' CG ' ' A' ' 27' ' ' PRO . 19.3 t80 -51.66 166.35 0.14 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.023 -0.589 . . . . 99.989999999999995 109.884 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' HG2' ' CG2' ' A' ' 5' ' ' VAL . 7.6 mt-10 -128.75 124.3 35.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 110.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.425 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 62.5 t80 -104.47 164.77 11.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.053 -0.976 . . . . 99.989999999999995 109.796 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 t70 -134.88 97.59 13.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.272 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 11.3 Cg_exo -34.48 131.98 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.321 3.348 . . . . 99.989999999999995 109.601 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 83.05 73.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.394 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -93.28 -64.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 111.027 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -178.99 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LEU . 2.8 m-20 -96.21 -49.9 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER 38.4 83.42 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.304 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -81.67 178.42 6.59 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.38 3.387 . . . . 99.989999999999995 109.578 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.73 35.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.31 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -162.59 43.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.336 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -80.17 140.05 36.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 108.0 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.77 140.06 53.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.306 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.467 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -42.34 139.0 1.95 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 108.351 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.546 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -84.67 15.53 2.17 Favored 'Trans proline' 0 N--CA 1.446 -1.3 0 C-N-CA 124.292 3.328 . . . . 99.989999999999995 109.632 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.6 t -139.6 -73.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 109.325 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.467 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 18.8 p -63.9 -21.91 66.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 108.311 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.46 35.45 91.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 110.983 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.07 159.93 15.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 99.989999999999995 109.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 p -60.57 153.76 22.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.993 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.2 49.42 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.388 1.055 . . . . 99.989999999999995 109.335 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -114.92 -41.42 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.237 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -63.84 -13.04 41.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 109.278 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.43 133.42 49.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 111.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 2.5 tp10 -156.21 145.14 20.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.287 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -39.91 139.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.302 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.278 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtp . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.518 0.199 . . . . 99.989999999999995 111.05 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 44.12 91.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.228 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.7 mt -145.33 133.97 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 109.313 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -112.69 92.07 3.88 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.002 -0.999 . . . . 99.989999999999995 109.824 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.94 114.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.33 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.2 t -50.62 152.13 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 108.271 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 45.7 p -109.81 18.19 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.424 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.6 t -115.11 -52.87 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.362 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.2 p -108.57 -20.86 12.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 108.348 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 91.37 11.84 60.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 110.961 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.491 ' CE2' ' CG ' ' A' ' 27' ' ' PRO . 11.8 t80 -39.93 157.28 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.998 -0.601 . . . . 99.989999999999995 109.808 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.66 119.26 25.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.278 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -105.51 157.58 17.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.038 -0.983 . . . . 99.989999999999995 109.847 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' PRO . 19.9 t0 -135.12 88.64 25.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' ASP . 11.6 Cg_exo -34.53 107.14 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.282 3.321 . . . . 99.989999999999995 109.616 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 173.19 68.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.266 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -154.13 -171.58 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.995 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -144.81 62.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 110.325 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.43 94.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.272 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tt -143.39 82.84 11.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.71 -175.61 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.315 3.344 . . . . 99.989999999999995 109.641 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.18 55.78 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.278 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 178.24 62.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 109.31 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -97.5 139.35 33.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 108.029 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.77 138.84 53.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.234 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.425 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.0 t -52.74 133.07 46.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 108.286 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.491 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 93.2 Cg_endo -72.45 -2.03 11.12 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.312 3.341 . . . . 99.989999999999995 109.603 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.8 t -109.11 -91.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.331 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.0 p -49.89 -49.84 48.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 108.28 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.46 -11.72 39.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 111.02 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.41 164.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 99.989999999999995 109.303 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 p -68.5 170.33 9.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 109.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -90.24 40.69 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 109.311 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -96.15 -50.62 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.269 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -61.29 -15.09 31.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 10.6 m-85 -64.55 135.21 55.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 110.977 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.94 154.08 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 99.989999999999995 110.285 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -94.56 105.32 17.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.294 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mtt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.478 0.18 . . . . 99.989999999999995 111.048 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.56 156.18 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 99.989999999999995 109.372 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 4' ' ' TYR . 33.0 mm -144.96 140.0 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.404 ' N ' HG21 ' A' ' 3' ' ' ILE . 94.6 m-85 -131.18 105.5 7.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.069 -0.969 . . . . 99.989999999999995 109.85 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 11' ' ' TYR . 69.9 t -108.77 128.22 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.44 ' SG ' ' CE1' ' A' ' 36' ' ' PHE . 6.2 t -57.76 141.23 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 108.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 71.3 p -103.56 20.25 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.387 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.4 t -114.95 -51.57 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 99.989999999999995 109.362 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 p -108.17 -22.04 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 108.267 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.94 5.53 59.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 110.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.462 ' O ' ' CG1' ' A' ' 5' ' ' VAL . 11.3 t80 -41.89 161.29 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.024 -0.588 . . . . 99.989999999999995 109.802 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -126.49 136.41 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.283 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.456 ' CE1' ' CH2' ' A' ' 24' ' ' TRP . 42.5 t80 -116.19 154.25 30.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.03 -0.986 . . . . 99.989999999999995 109.848 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -136.13 88.03 22.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.297 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 33.0 Cg_exo -36.29 127.11 0.4 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 124.307 3.338 . . . . 99.989999999999995 109.544 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 163.1 -29.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.319 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -54.41 -174.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -127.61 -57.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 110.28 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.95 95.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 109.362 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.47 81.98 66.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.264 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.18 172.76 12.48 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.308 3.339 . . . . 99.989999999999995 109.683 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -94.24 53.22 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 109.293 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -179.57 56.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CH2' ' CE1' ' A' ' 13' ' ' TYR . 2.0 t90 -97.41 136.11 38.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 108.022 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -128.31 139.86 52.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' GLY . 5.5 t -48.65 107.38 0.75 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 99.989999999999995 108.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.22 -18.97 1.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.291 3.327 . . . . 99.989999999999995 109.594 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -85.02 -90.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.351 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.9 p -59.32 -46.9 87.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 108.34 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 25' ' ' ALA . . . 114.04 -16.38 20.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 111.035 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.17 160.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 99.989999999999995 109.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.404 ' OG ' ' OD1' ' A' ' 34' ' ' ASP . 92.4 p -69.08 173.55 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.019 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.59 15.0 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 26.7 p-10 -86.3 -22.68 26.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.297 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.446 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -82.27 -6.86 59.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.313 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CE1' ' SG ' ' A' ' 6' ' ' CYS . 5.0 m-85 -83.17 137.84 33.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 99.989999999999995 110.948 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -153.66 153.02 31.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.248 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -44.37 141.12 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.293 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.305 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.582 0.23 . . . . 99.989999999999995 111.017 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -122.95 -59.59 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 99.989999999999995 109.263 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.7 mt -149.72 142.39 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 99.989999999999995 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -126.75 102.89 7.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.977 -1.011 . . . . 99.989999999999995 109.758 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 11' ' ' TYR . 33.6 t -109.42 130.06 63.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -65.1 147.4 53.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 108.343 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 77.7 p -107.27 16.02 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 110.416 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.79 -50.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 p -108.0 -25.03 11.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 108.274 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.91 15.23 53.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 110.939 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.501 ' O ' ' CG1' ' A' ' 5' ' ' VAL . 26.2 t80 -53.06 160.25 1.04 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.044 -0.578 . . . . 99.989999999999995 109.825 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG2' ' CG2' ' A' ' 5' ' ' VAL . 5.5 mt-10 -126.06 131.97 52.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.236 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -112.67 159.47 18.87 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.955 -1.02 . . . . 99.989999999999995 109.836 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.07 90.6 25.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.064 . . . . 99.989999999999995 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -36.11 94.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.289 3.326 . . . . 99.989999999999995 109.606 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' CD1' ' A' ' 17' ' ' PHE . . . -177.25 70.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 109.309 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 13.5 m-85 -149.69 -171.03 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.943 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -138.52 55.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 110.296 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.94 93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.333 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tt -136.03 83.32 34.17 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -83.64 177.29 6.38 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 124.29 3.327 . . . . 99.989999999999995 109.626 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -93.62 55.84 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 99.989999999999995 109.266 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -178.25 60.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.317 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.6 t90 -100.83 139.1 37.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 107.999 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -125.14 137.58 54.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.237 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 1.3 t -53.19 133.87 50.92 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 108.265 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 71.2 Cg_endo -72.89 -0.57 9.18 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.241 3.294 . . . . 99.989999999999995 109.604 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.4 t -113.8 -92.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 109.337 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 27.5 p -45.59 -44.14 12.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 108.297 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 88.16 33.2 10.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 111.013 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.28 162.8 13.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 99.989999999999995 109.291 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' LYS . 77.5 p -69.58 152.27 44.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.922 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ALA . 13.3 tmtt? -40.13 -51.09 2.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.288 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -46.37 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.271 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 34' ' ' ASP . . . 161.7 -28.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 99.989999999999995 109.267 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -76.39 140.82 41.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.943 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.77 148.18 33.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.258 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -52.63 139.67 25.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 109.221 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.281 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 mmt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.453 0.168 . . . . 99.989999999999995 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -114.52 85.68 2.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.327 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 mt -140.07 142.35 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.26 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 71.17 0.75 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.977 -1.01 . . . . 99.989999999999995 109.844 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.0 t -76.42 117.32 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.4 t -55.05 152.94 7.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 108.291 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 16.6 p -110.96 14.7 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.403 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.61 -53.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 99.989999999999995 109.352 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.08 -19.4 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.362 1.039 . . . . 99.989999999999995 108.314 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.22 10.92 60.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.928 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -39.67 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 118.871 -0.585 . . . . 99.989999999999995 109.841 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -127.13 111.45 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.314 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' CE1' ' A' ' 17' ' ' PHE . 74.6 t80 -101.49 158.95 15.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.009 -0.996 . . . . 99.989999999999995 109.826 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.63 91.84 24.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.286 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 10.9 Cg_exo -34.6 103.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.348 3.365 . . . . 99.989999999999995 109.582 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 163.66 69.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.276 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CE1' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m-85 -137.19 -172.15 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 111.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 2.0 tt0 -133.24 123.92 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER 80.83 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 109.239 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -119.94 82.55 28.62 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.29 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -47.58 168.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.396 3.398 . . . . 99.989999999999995 109.576 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.77 37.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.303 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.85 60.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.262 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -88.79 139.77 30.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.997 -1.112 . . . . 99.989999999999995 107.997 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.54 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.28 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 42.8 t -48.57 133.66 13.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 108.345 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.77 -0.88 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.33 3.353 . . . . 99.989999999999995 109.599 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.21 -93.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.335 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.4 p -46.4 -45.18 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 108.267 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.14 -6.29 53.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 111.039 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 163.93 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 99.989999999999995 109.282 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.6 p -75.86 173.82 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.82 50.11 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.284 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -112.86 -52.44 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.289 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -59.27 -24.34 63.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.273 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -62.45 133.83 55.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 99.989999999999995 111.007 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -120.77 147.66 45.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 110.319 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 98.34 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.3 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 mmt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.453 0.168 . . . . 99.989999999999995 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -114.52 85.68 2.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.327 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 mt -140.07 142.35 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.26 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 71.17 0.75 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.977 -1.01 . . . . 99.989999999999995 109.844 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.0 t -76.42 117.32 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.4 t -55.05 152.94 7.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 108.291 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 16.6 p -110.96 14.7 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.403 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.61 -53.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 99.989999999999995 109.352 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.08 -19.4 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.362 1.039 . . . . 99.989999999999995 108.314 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.22 10.92 60.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.928 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -39.67 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 118.871 -0.585 . . . . 99.989999999999995 109.841 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -127.13 111.45 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.314 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' CE1' ' A' ' 17' ' ' PHE . 74.6 t80 -101.49 158.95 15.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.009 -0.996 . . . . 99.989999999999995 109.826 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.63 91.84 24.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.286 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 10.9 Cg_exo -34.6 103.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.348 3.365 . . . . 99.989999999999995 109.582 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 163.66 69.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.276 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CE1' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m-85 -137.19 -172.15 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 111.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 2.0 tt0 -133.24 123.92 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER 80.83 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 109.239 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -119.94 82.55 28.62 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.29 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -47.58 168.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.396 3.398 . . . . 99.989999999999995 109.576 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.77 37.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.303 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.85 60.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.262 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -88.79 139.77 30.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.997 -1.112 . . . . 99.989999999999995 107.997 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.54 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.28 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 42.8 t -48.57 133.66 13.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 108.345 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.77 -0.88 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.33 3.353 . . . . 99.989999999999995 109.599 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.21 -93.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.335 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.4 p -46.4 -45.18 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 108.267 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.14 -6.29 53.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 111.039 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 163.93 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 99.989999999999995 109.282 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.6 p -75.86 173.82 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.82 50.11 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.284 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -112.86 -52.44 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -59.27 -24.34 63.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.273 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -62.45 133.83 55.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 99.989999999999995 111.007 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -120.77 147.66 45.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 110.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 98.34 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.3 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtp . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.531 0.205 . . . . 99.989999999999995 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 178.96 164.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.382 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.462 ' CG2' HG22 ' A' ' 5' ' ' VAL . 76.8 mt -146.82 143.81 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.234 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -126.44 85.07 2.34 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.016 -0.993 . . . . 99.989999999999995 109.8 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.462 HG22 ' CG2' ' A' ' 3' ' ' ILE . 45.2 t -95.86 119.55 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.612 1.195 . . . . 99.989999999999995 109.276 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 t -54.46 149.62 10.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 108.301 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 31.1 p -109.65 17.98 20.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.413 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -113.85 -51.39 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.235 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 p -108.86 -19.99 13.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 108.299 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.05 19.99 51.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 111.014 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -52.46 154.5 2.51 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.015 -0.593 . . . . 99.989999999999995 109.858 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.21 131.88 56.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.049 . . . . 99.989999999999995 110.362 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 85.6 t80 -118.46 166.87 12.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.056 -0.974 . . . . 99.989999999999995 109.841 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 2.8 t70 -140.79 139.72 20.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 95.3 Cg_endo -72.25 94.42 0.74 Allowed 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 124.31 3.34 . . . . 99.989999999999995 109.574 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 168.51 70.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.272 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -138.56 166.65 23.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 111.016 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -73.95 69.48 1.43 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 110.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.73 168.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 99.989999999999995 109.32 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 tp -111.64 140.83 23.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.272 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -82.41 174.85 9.5 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.255 3.303 . . . . 99.989999999999995 109.595 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -100.86 49.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.275 -179.837 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 5.2 m-20 162.12 74.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -103.9 133.11 49.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 108.013 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.83 139.65 53.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.268 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.8 t -53.32 132.65 52.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 108.378 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -72.15 -1.97 10.89 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.263 3.309 . . . . 99.989999999999995 109.608 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.1 t -108.88 -91.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.272 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.6 p -50.29 -50.38 50.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 108.279 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 108.25 -11.43 36.83 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.987 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.69 163.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 99.989999999999995 109.311 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.2 p -73.42 172.11 11.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 110.049 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -85.48 48.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.253 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -106.11 -47.69 3.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 109.255 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 34' ' ' ASP . . . -66.61 -16.6 64.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.497 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 20.8 m-85 -64.25 132.67 50.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 111.006 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -109.85 149.36 29.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.311 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.91 86.6 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.232 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.272 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' SD ' ' CD1' ' A' ' 3' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.498 0.19 . . . . 99.989999999999995 110.983 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.499 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 1.0 OUTLIER 57.79 80.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.319 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 4' ' ' TYR . 14.3 mt -136.79 137.78 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 109.314 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.414 ' N ' HG21 ' A' ' 3' ' ' ILE . 67.5 m-85 -107.23 96.05 6.14 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.989 -1.005 . . . . 99.989999999999995 109.842 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.19 115.78 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.248 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.9 t -54.43 152.15 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 108.361 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 11.3 p -110.9 12.41 22.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.394 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.5 t -107.3 -53.76 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.357 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.8 -20.18 13.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 108.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 94.45 7.34 60.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.424 1.078 . . . . 99.989999999999995 110.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' GLY . 16.1 t80 -39.46 154.8 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.803 -0.617 . . . . 99.989999999999995 109.879 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.55 124.38 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 110.27 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 56.0 t80 -125.77 161.9 26.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.947 -1.024 . . . . 99.989999999999995 109.825 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.598 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 2.5 t70 -128.75 140.98 40.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.285 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.499 ' CD ' ' O ' ' A' ' 2' ' ' ASP . 91.7 Cg_endo -78.78 100.49 1.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.298 3.332 . . . . 99.989999999999995 109.584 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 165.3 68.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.246 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -148.12 -172.12 3.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 111.007 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.38 59.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 179.49 94.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.323 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.04 78.75 15.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.349 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.74 168.61 20.81 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.293 3.329 . . . . 99.989999999999995 109.591 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.27 37.28 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.237 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -160.83 48.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 109.34 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -95.78 142.43 28.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 107.975 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -130.91 135.22 47.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 99.989999999999995 109.277 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' GLY . 6.2 t -46.35 106.04 0.53 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 108.321 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -46.22 -20.43 0.86 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.296 3.331 . . . . 99.989999999999995 109.634 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 26' ' ' CYS . 96.5 t -83.63 -90.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 99.989999999999995 109.267 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.6 p -60.52 -47.7 85.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 108.311 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . 114.41 -15.63 20.03 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.923 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.32 158.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 0.791 . . . . 99.989999999999995 109.336 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -72.9 167.81 20.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 109.984 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.12 48.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.304 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -117.47 -46.0 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 99.989999999999995 109.293 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -61.74 -21.69 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.282 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -61.84 133.52 55.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.951 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -108.7 140.74 41.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 110.327 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.98 86.52 4.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.282 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 110.329 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.591 0.234 . . . . 99.989999999999995 111.062 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -90.31 161.49 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.343 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mt -135.32 134.68 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 99.989999999999995 109.331 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.684 ' CD1' ' CG ' ' A' ' 15' ' ' PRO . 2.8 m-85 -114.55 81.93 1.64 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.039 -0.982 . . . . 99.989999999999995 109.887 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.5 t -86.65 118.4 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.29 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 t -58.86 150.12 24.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 108.316 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 22.4 p -109.39 16.99 21.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.403 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.8 t -112.18 -53.74 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.296 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.79 -20.06 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 108.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.67 9.61 59.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.976 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -39.43 148.58 0.06 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.029 -0.586 . . . . 99.989999999999995 109.888 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -120.16 114.77 22.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 110.328 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -125.8 161.12 28.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.005 -0.998 . . . . 99.989999999999995 109.845 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.85 90.08 28.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.235 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.684 ' CG ' ' CD1' ' A' ' 4' ' ' TYR . 11.9 Cg_exo -34.59 109.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.313 3.342 . . . . 99.989999999999995 109.608 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 172.81 69.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.347 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -141.21 -166.89 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 111.013 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -119.03 -53.98 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 110.355 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.17 99.93 8.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.223 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 tt -135.17 82.82 40.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.22 171.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.37 3.38 . . . . 99.989999999999995 109.567 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.57 38.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 109.216 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.0 50.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.276 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.6 137.59 57.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 108.038 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.75 137.37 51.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.311 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 44.1 t -50.41 133.59 25.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 108.334 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 77.2 Cg_endo -72.56 -0.67 9.15 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.284 3.323 . . . . 99.989999999999995 109.645 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -114.02 -93.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.301 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.8 p -47.37 -45.47 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 108.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.78 -6.16 51.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 111.066 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.64 164.23 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 0.766 . . . . 99.989999999999995 109.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.6 p -81.03 176.91 9.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 110.037 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 50.3 1.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -115.46 -43.19 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 99.989999999999995 109.245 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -69.81 -25.29 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.334 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -64.4 133.66 53.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 111.034 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -143.76 132.22 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 137.23 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.241 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.517 0.198 . . . . 99.989999999999995 110.987 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.85 96.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mt -140.87 146.76 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 109.282 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -120.74 80.98 1.7 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.969 -1.014 . . . . 99.989999999999995 109.889 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 12' ' ' GLU . 54.1 t -87.37 115.02 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.263 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.2 t -48.06 151.73 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 108.263 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 23.3 p -110.21 16.75 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.387 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 t -112.8 -53.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 109.316 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 p -108.77 -20.55 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.382 1.051 . . . . 99.989999999999995 108.314 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 92.89 10.28 60.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 110.981 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLY . 12.7 t80 -39.97 157.32 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.984 -0.608 . . . . 99.989999999999995 109.865 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HG2' ' CG2' ' A' ' 5' ' ' VAL . 5.6 mt-10 -124.12 126.49 46.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 110.279 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.589 ' OH ' ' CD1' ' A' ' 17' ' ' PHE . 34.4 t80 -108.03 154.97 20.89 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.994 -1.003 . . . . 99.989999999999995 109.845 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -133.64 84.88 43.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.316 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -34.94 105.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.278 3.319 . . . . 99.989999999999995 109.647 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.98 34.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.266 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.589 ' CD1' ' OH ' ' A' ' 13' ' ' TYR . 41.6 p90 -105.83 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.989 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -129.36 118.2 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 110.287 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 46.27 88.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.487 ' HB2' ' CD2' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -90.71 145.88 33.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.285 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 20' ' ' LEU . 35.9 Cg_endo -60.18 171.29 3.22 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.313 3.342 . . . . 99.989999999999995 109.558 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -104.57 56.19 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.313 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 172.79 70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.305 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 7.4 t90 -94.65 141.53 28.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 107.95 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.57 137.76 52.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.353 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 4.4 t -55.73 132.43 72.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 108.264 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -70.7 -2.15 10.39 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.309 3.339 . . . . 99.989999999999995 109.613 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.27 -92.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.316 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.8 p -49.75 -49.7 47.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 108.319 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 108.85 -10.88 34.82 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 111.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.03 164.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 0.806 . . . . 99.989999999999995 109.26 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.8 p -86.19 176.03 8.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.979 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -76.64 55.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 109.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -115.44 -49.75 2.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -69.48 -24.99 63.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -60.41 133.13 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 111.038 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -126.82 151.68 47.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.28 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.61 105.1 15.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 109.341 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtp . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.515 0.198 . . . . 99.989999999999995 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.73 135.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.238 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 mt -138.42 140.47 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.246 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -117.15 95.34 4.94 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.995 -1.002 . . . . 99.989999999999995 109.82 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -93.88 121.52 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.318 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.7 t -55.78 152.41 9.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 108.25 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 22.0 p -110.38 15.58 22.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 110.443 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.4 t -111.53 -53.11 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.362 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -109.93 -19.1 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 108.321 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.88 9.49 60.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.088 . . . . 99.989999999999995 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -40.06 157.72 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.008 -0.596 . . . . 99.989999999999995 109.857 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -127.82 112.88 15.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.403 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 66.3 t80 -97.43 157.03 16.21 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.03 -0.987 . . . . 99.989999999999995 109.809 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' ALA . 9.6 t70 -134.18 90.81 24.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' ASP . 11.4 Cg_exo -34.41 93.97 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.313 3.342 . . . . 99.989999999999995 109.588 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 172.8 68.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.336 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -136.69 -172.63 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 111.076 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 4.7 tt0 -128.66 123.47 33.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.283 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER 74.94 98.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.352 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tt -121.97 83.68 44.2 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.314 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.52 171.92 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.271 3.314 . . . . 99.989999999999995 109.62 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.14 42.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.298 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.12 49.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.403 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 6.4 t90 -85.14 141.92 29.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 108.016 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -131.32 134.96 46.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 99.989999999999995 109.335 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 30' ' ' GLY . 5.7 t -46.7 106.26 0.56 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 108.334 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -46.51 -20.03 0.86 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.224 3.283 . . . . 99.989999999999995 109.651 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' CYS . 96.9 t -84.14 -90.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 109.298 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.6 p -60.15 -46.9 88.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 108.346 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . 113.21 -15.37 22.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 111.011 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.0 161.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 99.989999999999995 109.263 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 p -76.13 170.26 16.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.964 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 47.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.274 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -116.29 -41.63 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.285 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -66.37 -21.96 66.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.285 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -63.15 136.04 57.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 99.989999999999995 111.028 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.99 152.25 39.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 110.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -57.54 127.09 30.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.248 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.548 0.213 . . . . 99.989999999999995 110.981 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 43.47 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.364 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 mt -138.81 140.09 39.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.327 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -115.88 87.64 2.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.0 -1.0 . . . . 99.989999999999995 109.862 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.4 t -92.09 123.2 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.215 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.2 t -58.64 154.17 14.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 108.303 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 14.3 p -111.43 13.66 21.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.388 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.16 -52.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.266 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -109.08 -19.19 13.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 108.335 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.58 12.13 61.38 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 110.978 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -41.03 157.66 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.974 -0.613 . . . . 99.989999999999995 109.882 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -128.52 113.79 15.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.301 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -102.62 161.68 13.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.003 -0.999 . . . . 99.989999999999995 109.785 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -136.99 93.06 13.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.316 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -34.63 97.49 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.342 3.361 . . . . 99.989999999999995 109.598 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.53 67.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.316 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.57 -163.65 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 110.949 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.02 -62.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 110.326 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.04 104.53 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -122.3 83.67 46.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 109.273 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.7 -176.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 124.378 3.385 . . . . 99.989999999999995 109.586 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -110.5 48.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -171.58 55.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -88.97 138.95 30.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 108.022 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -127.77 134.68 49.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.343 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' GLY . 4.7 t -47.5 106.97 0.65 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 108.222 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -47.57 -19.89 1.45 Allowed 'Trans proline' 0 N--CA 1.446 -1.297 0 C-N-CA 124.31 3.34 . . . . 99.989999999999995 109.618 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -83.66 -89.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 99.989999999999995 109.269 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 9.4 p -61.27 -48.69 80.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 108.219 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . 116.48 -17.66 13.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 111.012 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.72 156.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 99.989999999999995 109.268 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 p -68.73 176.82 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.187 . . . . 99.989999999999995 110.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -90.5 38.29 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.289 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -101.34 -53.81 2.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 109.249 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.42 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -56.47 -22.49 32.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 26.1 m-85 -60.68 134.84 57.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.969 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.19 145.85 29.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.238 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -61.39 119.26 8.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 109.319 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 99.989999999999995 110.302 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mtt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.474 0.178 . . . . 99.989999999999995 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.19 157.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.346 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.1 mt -137.14 142.94 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 99.989999999999995 109.269 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.402 ' HD2' ' CD1' ' A' ' 13' ' ' TYR . 63.6 m-85 -124.81 87.42 2.71 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.979 -1.01 . . . . 99.989999999999995 109.79 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 78.6 t -98.68 120.26 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 109.369 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.1 t -50.95 150.25 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 108.305 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 45.8 p -107.49 21.75 17.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.354 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -117.93 -52.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.241 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -108.61 -24.28 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 108.297 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.84 18.14 45.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.973 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.674 ' CE2' ' CG ' ' A' ' 27' ' ' PRO . 18.8 t80 -49.89 160.53 0.31 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.98 -0.61 . . . . 99.989999999999995 109.82 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -121.92 132.87 54.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.289 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 1.3 t80 -118.59 150.28 39.94 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.975 -1.011 . . . . 99.989999999999995 109.876 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.592 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 1.4 t70 -117.68 142.86 31.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 99.989999999999995 109.338 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -81.14 70.33 7.53 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 124.311 3.34 . . . . 99.989999999999995 109.566 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.91 69.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.284 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -138.07 168.06 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.969 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.52 56.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 110.293 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.27 94.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.287 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -128.11 81.17 70.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.23 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -65.34 177.21 2.74 Favored 'Trans proline' 0 N--CA 1.446 -1.318 0 C-N-CA 124.383 3.389 . . . . 99.989999999999995 109.615 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -103.54 42.02 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.282 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.65 50.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -90.43 138.44 31.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 108.009 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.65 136.54 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 109.303 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.424 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -42.75 136.83 2.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.378 1.049 . . . . 99.989999999999995 108.246 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.674 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 98.5 Cg_endo -69.38 -5.26 15.53 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.314 3.343 . . . . 99.989999999999995 109.587 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t -112.97 -93.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.324 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 23.9 p -44.34 -51.46 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 108.311 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.43 -11.55 39.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.972 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.81 164.49 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 0.757 . . . . 99.989999999999995 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.7 p -74.38 175.44 7.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.953 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 48.81 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.27 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -113.32 -33.65 5.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.249 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -89.77 42.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.236 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -120.77 138.96 53.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.988 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -163.89 153.1 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.355 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -50.68 135.45 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.351 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.273 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.612 0.244 . . . . 99.989999999999995 111.06 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 176.63 69.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.315 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.454 ' CG2' HG22 ' A' ' 5' ' ' VAL . 1.2 mp -154.78 142.16 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 99.989999999999995 109.333 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.41 ' N ' HG22 ' A' ' 3' ' ' ILE . 52.9 m-85 -128.13 90.54 3.1 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.991 -1.004 . . . . 99.989999999999995 109.859 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 3' ' ' ILE . 57.7 t -102.64 120.6 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.28 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.58 157.17 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 99.989999999999995 108.312 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 5.9 p -114.59 2.71 14.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 110.436 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.1 t -96.16 -51.07 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.294 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.36 -22.91 12.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 108.277 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.37 19.11 46.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 111.065 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -50.68 158.35 0.66 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.985 -0.607 . . . . 99.989999999999995 109.864 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.9 130.5 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 60.1 t80 -117.15 153.38 32.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.027 -0.988 . . . . 99.989999999999995 109.912 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -131.34 90.55 37.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.438 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 13.3 Cg_exo -35.08 116.61 0.11 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.3 3.333 . . . . 99.989999999999995 109.6 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 167.24 69.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.24 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.95 -162.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 111.022 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -134.39 -50.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 110.327 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.96 94.34 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.07 . . . . 99.989999999999995 109.338 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.05 80.7 71.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.309 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.4 -176.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.336 3.357 . . . . 99.989999999999995 109.625 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -106.42 54.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.316 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.7 61.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 2.4 t90 -92.84 139.95 30.01 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.958 -1.127 . . . . 99.989999999999995 107.958 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.8 135.9 53.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.229 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.432 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 3.2 t -54.98 132.9 67.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 108.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -71.09 -2.08 10.56 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.314 3.343 . . . . 99.989999999999995 109.629 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.55 -91.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.291 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.7 p -49.75 -49.34 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 108.317 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.81 -11.08 38.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.951 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.85 165.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 99.989999999999995 109.278 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.428 ' OG ' ' CG ' ' A' ' 34' ' ' ASP . 5.1 p -73.04 178.18 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.003 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -15.67 62.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 99.989999999999995 109.308 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 24.5 p30 -71.8 -15.1 62.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -76.01 -8.86 57.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -97.75 142.62 29.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.409 1.068 . . . . 99.989999999999995 111.017 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -115.7 116.36 27.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.424 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.85 127.38 29.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.241 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 110.283 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.475 0.179 . . . . 99.989999999999995 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -50.9 109.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.162 . . . . 99.989999999999995 109.278 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 4' ' ' TYR . 44.9 mt -136.19 138.96 46.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 38' ' ' LYS . 49.3 m-85 -120.06 87.42 2.74 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.032 -0.985 . . . . 99.989999999999995 109.816 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.9 t -95.93 128.76 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.32 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 t -67.29 148.21 51.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 108.293 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 58.5 p -107.67 19.08 20.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.394 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -113.56 -51.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 p -108.36 -25.23 11.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 108.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.88 22.58 35.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 110.955 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -60.97 166.2 3.64 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.006 -0.597 . . . . 99.989999999999995 109.826 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -129.0 133.69 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.237 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 62.8 t80 -114.08 167.52 10.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.963 -1.017 . . . . 99.989999999999995 109.865 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.418 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 4.6 t0 -140.16 92.59 9.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.313 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -34.63 99.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.291 3.327 . . . . 99.989999999999995 109.645 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.11 70.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.345 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.81 173.77 11.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 111.028 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -35.49 77.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.346 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.88 -175.94 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.261 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.83 83.85 9.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.9 175.91 0.11 Allowed 'Trans proline' 0 N--CA 1.449 -1.128 0 C-N-CA 124.287 3.325 . . . . 99.989999999999995 109.573 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.63 58.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 109.287 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 176.88 60.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.247 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -102.23 134.89 44.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 108.004 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.03 138.76 53.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.314 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.441 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -54.23 134.34 60.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 108.348 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 70.9 Cg_endo -72.72 -1.11 9.87 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.343 3.362 . . . . 99.989999999999995 109.643 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.4 t -114.1 -93.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.313 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.0 p -44.56 -44.21 8.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 108.297 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 87.61 33.71 11.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 111.05 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.69 161.88 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 99.989999999999995 109.392 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' LYS . 6.8 p -70.39 153.41 43.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.984 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ALA . 2.4 tmtt? -39.49 -47.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 109.392 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.531 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 1.3 p30 -48.76 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.303 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 34' ' ' ASP . . . 161.29 -27.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -77.18 138.72 39.63 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 111.008 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -116.09 143.76 45.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 99.989999999999995 110.322 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -86.56 91.12 8.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 99.989999999999995 109.262 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.296 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.521 0.2 . . . . 99.989999999999995 111.016 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.21 109.36 5.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.306 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 mp -156.72 140.9 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.3 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.46 ' CD2' ' HG3' ' A' ' 15' ' ' PRO . 35.3 m-85 -115.04 89.94 3.22 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.987 -1.006 . . . . 99.989999999999995 109.853 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.0 t -96.38 118.55 42.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.337 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.1 t -58.49 150.44 22.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 108.317 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 32.0 p -109.71 17.47 21.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.439 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -112.45 -52.61 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.325 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.33 -21.82 12.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 108.332 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.39 21.54 40.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.954 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -54.1 152.56 5.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.978 -0.611 . . . . 99.989999999999995 109.82 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.44 125.5 48.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.316 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -116.88 167.63 10.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.016 -0.993 . . . . 99.989999999999995 109.799 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -139.54 90.98 11.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 109.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 26.9 Cg_exo -36.41 114.31 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 99.989999999999995 109.577 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . 164.37 71.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.31 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.08 166.77 25.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.961 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.74 -174.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.292 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -41.55 111.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 99.989999999999995 109.331 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD2' ' HD2' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -72.77 147.24 88.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 109.258 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.474 ' HD2' ' CD2' ' A' ' 20' ' ' LEU . 87.1 Cg_endo -80.7 176.61 8.89 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.243 3.295 . . . . 99.989999999999995 109.588 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -110.53 58.89 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.302 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 164.42 74.26 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.357 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -103.62 133.62 48.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 108.006 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.57 139.87 52.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.302 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.419 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.9 t -53.84 132.56 57.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 108.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.17 -2.92 11.9 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.341 3.361 . . . . 99.989999999999995 109.584 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.9 t -108.51 -92.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.308 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.5 p -48.57 -50.89 30.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 99.989999999999995 108.293 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.99 -10.77 37.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.966 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.14 163.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 99.989999999999995 109.28 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.0 p -75.96 170.8 15.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 99.989999999999995 110.065 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -82.15 52.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.318 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -115.89 -37.89 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.301 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -73.85 -18.5 60.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.298 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -64.97 133.58 52.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 111.024 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -140.09 140.39 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.29 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -65.23 140.32 58.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.373 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 99.989999999999995 110.3 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.521 0.201 . . . . 99.989999999999995 111.052 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -159.99 92.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.249 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -138.36 143.0 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.334 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.549 ' CD2' ' HG3' ' A' ' 15' ' ' PRO . 39.3 m-85 -115.78 97.7 6.27 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.029 -0.987 . . . . 99.989999999999995 109.824 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -108.3 114.31 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.333 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.409 ' SG ' ' CE1' ' A' ' 36' ' ' PHE . 3.5 t -60.0 153.65 20.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 99.989999999999995 108.29 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 39.1 p -109.44 10.73 25.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.387 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.498 ' CG1' ' SG ' ' A' ' 29' ' ' CYS . 3.4 p -117.25 7.05 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 6' ' ' CYS . 6.5 p -164.69 -42.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 108.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 102.58 9.6 40.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.414 1.071 . . . . 99.989999999999995 110.992 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.446 ' CE2' ' CG ' ' A' ' 27' ' ' PRO . 18.0 t80 -39.13 156.48 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.034 -0.583 . . . . 99.989999999999995 109.84 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.78 118.09 21.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 110.35 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -119.14 160.36 22.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.967 -1.015 . . . . 99.989999999999995 109.811 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -123.98 96.81 41.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.264 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.549 ' HG3' ' CD2' ' A' ' 4' ' ' TYR . 25.7 Cg_exo -35.8 110.63 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 124.271 3.314 . . . . 99.989999999999995 109.633 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -179.61 48.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.297 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.45 -160.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 99.989999999999995 110.969 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -145.62 -62.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.328 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -45.95 -69.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.319 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' ASP . 0.8 OUTLIER 39.0 85.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.297 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.03 167.2 23.87 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 124.297 3.331 . . . . 99.989999999999995 109.611 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.15 52.86 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.318 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t0 173.91 56.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.301 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -87.41 140.36 29.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 108.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 31' ' ' ALA . . . -124.44 139.75 53.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.47 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -46.99 140.85 6.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 108.303 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.446 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 41.6 Cg_endo -81.67 13.07 2.55 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.362 3.375 . . . . 99.989999999999995 109.517 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 t -131.73 -73.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.341 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 29.0 p -64.48 -40.66 96.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.604 1.19 . . . . 99.989999999999995 108.292 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.07 33.63 25.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 111.012 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -95.24 152.91 17.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 99.989999999999995 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' LYS . 23.8 p -61.32 145.29 51.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' ALA . 11.3 ttmm -40.16 -45.82 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 1.9 p30 -50.15 92.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' ASP . . . 161.61 -28.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 99.989999999999995 109.23 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.409 ' CE1' ' SG ' ' A' ' 6' ' ' CYS . 19.5 m-85 -70.27 140.86 52.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 99.989999999999995 110.924 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -129.05 122.77 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.284 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -62.03 114.9 3.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.331 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.238 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 3.7 mtt . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.566 0.222 . . . . 99.989999999999995 111.088 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.41 94.44 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.239 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 mt -136.04 132.85 50.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.296 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.488 ' CD1' ' CG ' ' A' ' 15' ' ' PRO . 2.5 m-85 -116.8 83.33 1.95 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.044 -0.98 . . . . 99.989999999999995 109.82 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.0 t -92.66 119.9 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.269 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.18 149.9 31.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 108.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 24.6 p -109.43 14.91 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.371 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.6 t -109.77 -51.67 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -108.55 -22.01 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 108.216 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.35 9.32 60.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 111.006 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -40.82 155.87 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.986 -0.607 . . . . 99.989999999999995 109.855 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.3 132.45 52.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 110.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -145.34 164.14 32.38 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.056 -0.975 . . . . 99.989999999999995 109.84 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -137.95 90.08 14.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.287 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.488 ' CG ' ' CD1' ' A' ' 4' ' ' TYR . 12.1 Cg_exo -34.67 97.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 99.989999999999995 109.596 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.76 70.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 99.989999999999995 109.341 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.25 178.49 6.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.994 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.14 -72.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.332 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -136.87 158.46 44.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.32 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.435 ' CD2' ' HD2' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -118.05 142.37 30.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.339 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HD2' ' CD2' ' A' ' 20' ' ' LEU . 32.3 Cg_endo -85.42 174.0 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.314 3.343 . . . . 99.989999999999995 109.616 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.11 43.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.34 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 176.29 55.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.318 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -81.73 136.09 35.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 108.076 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.08 138.87 52.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 4.3 t -53.11 132.43 50.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 99.989999999999995 108.289 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.63 -1.86 10.47 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.35 3.367 . . . . 99.989999999999995 109.622 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.22 -92.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.069 . . . . 99.989999999999995 109.269 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.1 p -49.64 -49.61 46.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 108.285 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.42 -9.95 38.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 111.042 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.09 163.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.61 0.829 . . . . 99.989999999999995 109.34 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -78.15 172.72 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.984 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -82.12 52.17 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.281 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -115.42 -39.41 3.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 109.346 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -74.64 -18.52 60.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.374 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -64.86 133.79 52.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 111.005 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -142.0 138.61 31.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.297 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 1' ' ' MET . 33.8 tttt -64.26 128.11 34.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.544 0.212 . . . . 99.989999999999995 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.6 -165.58 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 99.989999999999995 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.409 ' CG2' HG22 ' A' ' 5' ' ' VAL . 1.2 mp -147.21 146.6 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 109.297 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -119.81 76.68 1.17 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.012 -0.995 . . . . 99.989999999999995 109.868 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.454 ' CG2' ' HG2' ' A' ' 12' ' ' GLU . 73.2 t -83.99 115.51 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 t -48.57 150.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 108.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 23.3 p -108.79 19.23 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.424 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 t -115.43 -53.34 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.277 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.4 p -108.91 -22.01 12.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 108.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.62 10.24 58.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.946 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CZ ' ' CG ' ' A' ' 27' ' ' PRO . 14.4 t80 -40.25 158.64 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 118.868 -0.586 . . . . 99.989999999999995 109.853 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG2' ' CG2' ' A' ' 5' ' ' VAL . 2.3 mt-10 -126.26 125.56 42.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.272 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -102.1 160.67 14.31 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.002 -0.999 . . . . 99.989999999999995 109.816 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' ALA . 9.2 t70 -134.21 86.87 35.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 99.989999999999995 109.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' ASP . 11.7 Cg_exo -34.05 93.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.338 3.359 . . . . 99.989999999999995 109.548 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 177.77 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.325 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.24 -174.57 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.996 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -146.53 56.86 1.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.247 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' LEU . 9.8 t0 178.14 -67.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.237 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER 38.36 81.05 0.25 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.292 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.12 176.54 0.99 Allowed 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 124.276 3.317 . . . . 99.989999999999995 109.564 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.45 39.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.282 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -171.53 51.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.278 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.7 t90 -79.98 142.85 34.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 107.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.35 138.09 52.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.328 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.485 ' SG ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 t -53.04 133.04 49.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 108.242 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.583 ' CG ' ' CZ ' ' A' ' 11' ' ' TYR . 77.3 Cg_endo -70.45 -3.04 11.66 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.315 3.344 . . . . 99.989999999999995 109.595 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.12 -92.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.287 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.4 p -48.64 -51.83 26.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 108.281 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 109.54 -11.77 33.01 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 111.008 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.44 161.81 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 99.989999999999995 109.352 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 p -74.3 170.01 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -80.92 53.25 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.287 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -112.9 -51.12 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.312 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.41 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -61.31 -21.68 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 99.989999999999995 109.268 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 32.9 m-85 -61.11 133.98 56.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 99.989999999999995 110.99 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.69 146.15 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -78.74 97.78 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.264 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 110.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.45 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 2.0 p-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.565 ' CG2' HG23 ' A' ' 5' ' ' VAL . 30.3 mm -148.98 143.0 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -125.93 78.81 1.78 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.025 -0.988 . . . . 1.0 109.806 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 11' ' ' TYR . 54.7 t -90.75 118.58 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.52 ' SG ' ' CE1' ' A' ' 36' ' ' PHE . 8.9 t -50.86 146.61 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 1.0 108.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.6 p -106.6 20.57 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.2 t -115.33 -51.87 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.48 -21.48 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 1.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.44 23.49 33.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.783 ' O ' HG13 ' A' ' 5' ' ' VAL . 7.3 t80 -54.13 162.58 0.98 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.02 -0.59 . . . . 1.0 109.814 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HA ' HG22 ' A' ' 5' ' ' VAL . 1.7 tt0 -124.93 127.12 46.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 1.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.49 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 36.4 t80 -141.08 150.16 42.56 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.815 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.49 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -118.41 139.93 27.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.45 ' CD ' ' O ' ' A' ' 2' ' ' ASP . 64.8 Cg_endo -79.78 70.42 7.52 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.302 3.335 . . . . 1.0 109.647 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.64 38.61 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 1.0 109.27 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 19.4 p90 -102.91 -171.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -135.37 -45.34 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 7.9 t0 -105.82 95.6 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -115.89 86.89 17.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 1.0 109.251 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 20' ' ' LEU . 71.4 Cg_exo -47.23 174.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.3 3.334 . . . . 1.0 109.563 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.97 57.45 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 1.0 109.273 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t0 173.54 71.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 1.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -108.17 130.71 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 108.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.36 139.45 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.411 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 2.0 t -50.12 135.29 22.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 108.319 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 89.2 Cg_endo -83.26 19.56 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.309 3.34 . . . . 1.0 109.598 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.48 -73.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 109.304 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -70.63 -32.65 70.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 108.32 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.29 -12.77 67.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 1.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.09 160.21 2.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 1.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.8 p -68.36 165.05 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 46.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -108.25 -31.8 7.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 1.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.85 -2.73 41.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CE1' ' SG ' ' A' ' 6' ' ' CYS . 6.7 m-85 -79.62 134.95 36.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 1.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LYS . 2.8 tt0 -165.46 150.99 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 1.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' GLU . 4.1 ttpt -40.05 139.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 1.0 110.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.686 HG22 HG23 ' A' ' 5' ' ' VAL . 15.8 mm -141.85 140.86 30.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 1.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -120.2 83.77 2.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.954 -1.021 . . . . 1.0 109.843 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.852 HG22 ' HG2' ' A' ' 12' ' ' GLU . 61.1 t -88.43 119.15 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 1.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.6 t -48.71 148.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 1.0 108.262 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -107.4 17.03 23.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 t -112.22 -52.1 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 1.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.4 p -107.84 -25.05 11.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.619 1.199 . . . . 1.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.75 15.24 46.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.123 . . . . 1.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.838 ' O ' HG13 ' A' ' 5' ' ' VAL . 19.3 t80 -51.66 166.35 0.14 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.023 -0.589 . . . . 1.0 109.884 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.852 ' HG2' HG22 ' A' ' 5' ' ' VAL . 7.6 mt-10 -128.75 124.3 35.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 1.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.425 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 62.5 t80 -104.47 164.77 11.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.796 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 t70 -134.88 97.59 13.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.689 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 11.3 Cg_exo -34.48 131.98 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.321 3.348 . . . . 1.0 109.601 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 15' ' ' PRO . . . 83.05 73.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 1.0 109.394 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -93.28 -64.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 1.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -178.99 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 1.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LEU . 2.8 m-20 -96.21 -49.9 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 1.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 38.4 83.42 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 1.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -81.67 178.42 6.59 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.38 3.387 . . . . 1.0 109.578 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.73 35.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 1.0 109.31 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -162.59 43.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 1.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -80.17 140.05 36.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 108.0 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.77 140.06 53.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.514 ' CB ' ' HG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -42.34 139.0 1.95 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 1.0 108.351 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.546 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -84.67 15.53 2.17 Favored 'Trans proline' 0 N--CA 1.446 -1.3 0 C-N-CA 124.292 3.328 . . . . 1.0 109.632 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.6 t -139.6 -73.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 109.325 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.514 ' HG ' ' CB ' ' A' ' 26' ' ' CYS . 18.8 p -63.9 -21.91 66.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 1.0 108.311 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.46 35.45 91.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 1.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . . . -103.07 159.93 15.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 p -60.57 153.76 22.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 1.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.2 49.42 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.388 1.055 . . . . 1.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -114.92 -41.42 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 1.0 109.237 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.84 -13.04 41.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 1.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.43 133.42 49.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 1.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 2.5 tp10 -156.21 145.14 20.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -39.91 139.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.302 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.623 HG22 HG23 ' A' ' 5' ' ' VAL . 68.7 mt -145.33 133.97 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 1.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -112.69 92.07 3.88 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.824 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.623 HG23 HG22 ' A' ' 3' ' ' ILE . 40.0 t -95.94 114.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 1.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.2 t -50.62 152.13 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 108.271 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.463 ' OG1' ' HB1' ' A' ' 35' ' ' ALA . 45.7 p -109.81 18.19 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 110.424 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.6 t -115.11 -52.87 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 1.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.2 p -108.57 -20.86 12.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 108.348 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 91.37 11.84 60.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 1.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.491 ' CE2' ' CG ' ' A' ' 27' ' ' PRO . 11.8 t80 -39.93 157.28 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.998 -0.601 . . . . 1.0 109.808 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.66 119.26 25.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 1.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -105.51 157.58 17.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.847 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' PRO . 19.9 t0 -135.12 88.64 25.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 1.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.547 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.6 Cg_exo -34.53 107.14 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.282 3.321 . . . . 1.0 109.616 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 173.19 68.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 1.0 109.266 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -154.13 -171.58 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -144.81 62.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 1.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.43 94.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 1.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tt -143.39 82.84 11.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.71 -175.61 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.315 3.344 . . . . 1.0 109.641 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.18 55.78 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 178.24 62.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 1.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -97.5 139.35 33.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 1.0 108.029 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.77 138.84 53.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 1.0 109.234 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.0 t -52.74 133.07 46.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 1.0 108.286 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.491 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 93.2 Cg_endo -72.45 -2.03 11.12 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.312 3.341 . . . . 1.0 109.603 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.8 t -109.11 -91.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 109.331 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.0 p -49.89 -49.84 48.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 108.28 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.46 -11.72 39.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 1.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.41 164.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 1.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 p -68.5 170.33 9.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 1.0 109.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -90.24 40.69 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 1.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -96.15 -50.62 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 1.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.463 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -61.29 -15.09 31.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 10.6 m-85 -64.55 135.21 55.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 1.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.94 154.08 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 1.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -94.56 105.32 17.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 1.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 110.294 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.454 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.454 HD13 ' O ' ' A' ' 2' ' ' ASP . 33.0 mm -144.96 140.0 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -131.18 105.5 7.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.069 -0.969 . . . . 1.0 109.85 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.893 HG13 ' O ' ' A' ' 11' ' ' TYR . 69.9 t -108.77 128.22 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.44 ' SG ' ' CE1' ' A' ' 36' ' ' PHE . 6.2 t -57.76 141.23 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 35' ' ' ALA . 71.3 p -103.56 20.25 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 1.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.4 t -114.95 -51.57 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 1.0 109.362 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 p -108.17 -22.04 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 108.267 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.94 5.53 59.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 1.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.893 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.3 t80 -41.89 161.29 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.024 -0.588 . . . . 1.0 109.802 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.461 ' CG ' HG22 ' A' ' 5' ' ' VAL . 3.4 mt-10 -126.49 136.41 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 1.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.456 ' CE1' ' CH2' ' A' ' 24' ' ' TRP . 42.5 t80 -116.19 154.25 30.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.03 -0.986 . . . . 1.0 109.848 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -136.13 88.03 22.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.675 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 33.0 Cg_exo -36.29 127.11 0.4 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 124.307 3.338 . . . . 1.0 109.544 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 163.1 -29.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 1.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -54.41 -174.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 1.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -127.61 -57.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 1.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.95 95.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 1.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.47 81.98 66.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.18 172.76 12.48 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.308 3.339 . . . . 1.0 109.683 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -94.24 53.22 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 1.0 109.293 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -179.57 56.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CH2' ' CE1' ' A' ' 13' ' ' TYR . 2.0 t90 -97.41 136.11 38.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 1.0 108.022 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.998 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -128.31 139.86 52.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 1.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' GLY . 5.5 t -48.65 107.38 0.75 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 1.0 108.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.22 -18.97 1.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.291 3.327 . . . . 1.0 109.594 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -85.02 -90.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 109.351 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.9 p -59.32 -46.9 87.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 1.0 108.34 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.998 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 114.04 -16.38 20.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 1.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.17 160.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 1.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.404 ' OG ' ' OD1' ' A' ' 34' ' ' ASP . 92.4 p -69.08 173.55 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 1.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.59 15.0 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 26.7 p-10 -86.3 -22.68 26.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.446 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -82.27 -6.86 59.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 109.313 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CE1' ' SG ' ' A' ' 6' ' ' CYS . 5.0 m-85 -83.17 137.84 33.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 1.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -153.66 153.02 31.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 1.0 110.248 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -44.37 141.12 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 109.293 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 1.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.6 t0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.7 mt -149.72 142.39 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 1.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -126.75 102.89 7.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.758 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 11' ' ' TYR . 33.6 t -109.42 130.06 63.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 1.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -65.1 147.4 53.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 1.0 108.343 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 p -107.27 16.02 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 1.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.79 -50.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 p -108.0 -25.03 11.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 1.0 108.274 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.91 15.23 53.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.416 1.073 . . . . 1.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.825 ' O ' HG13 ' A' ' 5' ' ' VAL . 26.2 t80 -53.06 160.25 1.04 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.044 -0.578 . . . . 1.0 109.825 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.747 ' HG2' HG22 ' A' ' 5' ' ' VAL . 5.5 mt-10 -126.06 131.97 52.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 110.236 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -112.67 159.47 18.87 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.955 -1.02 . . . . 1.0 109.836 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.07 90.6 25.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.064 . . . . 1.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -36.11 94.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.289 3.326 . . . . 1.0 109.606 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' CD1' ' A' ' 17' ' ' PHE . . . -177.25 70.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.309 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 13.5 m-85 -149.69 -171.03 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -138.52 55.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.94 93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 1.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tt -136.03 83.32 34.17 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -83.64 177.29 6.38 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 124.29 3.327 . . . . 1.0 109.626 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -93.62 55.84 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 1.0 109.266 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -178.25 60.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.6 t90 -100.83 139.1 37.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 107.999 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 31' ' ' ALA . . . -125.14 137.58 54.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 1.0 109.237 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 1.3 t -53.19 133.87 50.92 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 1.0 108.265 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 71.2 Cg_endo -72.89 -0.57 9.18 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.241 3.294 . . . . 1.0 109.604 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.4 t -113.8 -92.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 1.0 109.337 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 27.5 p -45.59 -44.14 12.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 1.0 108.297 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 88.16 33.2 10.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 1.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -94.28 162.8 13.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 1.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.437 ' HG ' ' CG ' ' A' ' 34' ' ' ASP . 77.5 p -69.58 152.27 44.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 1.0 109.922 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ALA . 13.3 tmtt? -40.13 -51.09 2.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.7 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -46.37 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 34' ' ' ASP . . . 161.7 -28.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 1.0 109.267 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -76.39 140.82 41.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 1.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.77 148.18 33.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 110.258 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -52.63 139.67 25.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 1.0 109.221 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.467 ' OE1' HG21 ' A' ' 5' ' ' VAL . 1.8 tt0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 1.0 110.281 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.805 ' CG2' HG23 ' A' ' 5' ' ' VAL . 12.4 mt -140.07 142.35 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 71.17 0.75 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.977 -1.01 . . . . 1.0 109.844 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.805 HG23 ' CG2' ' A' ' 3' ' ' ILE . 75.0 t -76.42 117.32 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 1.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.4 t -55.05 152.94 7.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 108.291 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -110.96 14.7 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.61 -53.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 1.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.08 -19.4 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.362 1.039 . . . . 1.0 108.314 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.22 10.92 60.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 1.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 13.0 t80 -39.67 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 118.871 -0.585 . . . . 1.0 109.841 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.591 ' HG2' HG22 ' A' ' 5' ' ' VAL . 8.4 mt-10 -127.13 111.45 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' CE1' ' A' ' 17' ' ' PHE . 74.6 t80 -101.49 158.95 15.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.826 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.63 91.84 24.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.683 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 10.9 Cg_exo -34.6 103.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.348 3.365 . . . . 1.0 109.582 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 163.66 69.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.276 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CE1' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m-85 -137.19 -172.15 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 1.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 2.0 tt0 -133.24 123.92 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 1.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER 80.83 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 1.0 109.239 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -119.94 82.55 28.62 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.082 . . . . 1.0 109.29 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -47.58 168.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.396 3.398 . . . . 1.0 109.576 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.77 37.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.85 60.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -88.79 139.77 30.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.54 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 42.8 t -48.57 133.66 13.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 1.0 108.345 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 73.6 Cg_endo -72.77 -0.88 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.33 3.353 . . . . 1.0 109.599 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.21 -93.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 109.335 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.4 p -46.4 -45.18 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.0 108.267 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.14 -6.29 53.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.457 1.098 . . . . 1.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 163.93 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 1.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.6 p -75.86 173.82 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.82 50.11 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 1.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -112.86 -52.44 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.34 63.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -62.45 133.83 55.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 1.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -120.77 147.66 45.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 1.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 98.34 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 1.0 110.3 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.805 ' CG2' HG23 ' A' ' 5' ' ' VAL . 12.4 mt -140.07 142.35 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 71.17 0.75 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.977 -1.01 . . . . 1.0 109.844 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.805 HG23 ' CG2' ' A' ' 3' ' ' ILE . 75.0 t -76.42 117.32 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 1.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.4 t -55.05 152.94 7.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 108.291 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -110.96 14.7 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.61 -53.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 1.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.08 -19.4 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.362 1.039 . . . . 1.0 108.314 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.22 10.92 60.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 1.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 13.0 t80 -39.67 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 118.871 -0.585 . . . . 1.0 109.841 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.591 ' HG2' HG22 ' A' ' 5' ' ' VAL . 8.4 mt-10 -127.13 111.45 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' CE1' ' A' ' 17' ' ' PHE . 74.6 t80 -101.49 158.95 15.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.826 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.63 91.84 24.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.683 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 10.9 Cg_exo -34.6 103.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.348 3.365 . . . . 1.0 109.582 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 163.66 69.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.276 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CE1' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m-85 -137.19 -172.15 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 1.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 2.0 tt0 -133.24 123.92 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 1.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER 80.83 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 1.0 109.239 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -119.94 82.55 28.62 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.082 . . . . 1.0 109.29 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -47.58 168.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.396 3.398 . . . . 1.0 109.576 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.77 37.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.85 60.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -88.79 139.77 30.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.54 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 42.8 t -48.57 133.66 13.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 1.0 108.345 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 73.6 Cg_endo -72.77 -0.88 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.33 3.353 . . . . 1.0 109.599 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.21 -93.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 109.335 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.4 p -46.4 -45.18 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.0 108.267 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.14 -6.29 53.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.457 1.098 . . . . 1.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 163.93 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 1.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.6 p -75.86 173.82 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.82 50.11 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 1.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -112.86 -52.44 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.34 63.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -62.45 133.83 55.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 1.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -120.77 147.66 45.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 1.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 98.34 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 1.0 110.3 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.413 ' CG ' ' HB3' ' A' ' 15' ' ' PRO . 5.3 p-10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.458 ' CG2' HG23 ' A' ' 5' ' ' VAL . 76.8 mt -146.82 143.81 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 109.234 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -126.44 85.07 2.34 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.8 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.458 HG23 ' CG2' ' A' ' 3' ' ' ILE . 45.2 t -95.86 119.55 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.612 1.195 . . . . 1.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 t -54.46 149.62 10.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 1.0 108.301 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.1 p -109.65 17.98 20.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 1.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -113.85 -51.39 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 109.235 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 p -108.86 -19.99 13.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 1.0 108.299 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.05 19.99 51.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 1.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.411 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.2 t80 -52.46 154.5 2.51 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.015 -0.593 . . . . 1.0 109.858 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.21 131.88 56.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.049 . . . . 1.0 110.362 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 85.6 t80 -118.46 166.87 12.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.056 -0.974 . . . . 1.0 109.841 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 2.8 t70 -140.79 139.72 20.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.625 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 95.3 Cg_endo -72.25 94.42 0.74 Allowed 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 124.31 3.34 . . . . 1.0 109.574 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 168.51 70.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 1.0 109.272 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -138.56 166.65 23.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 1.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -73.95 69.48 1.43 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.153 . . . . 1.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.73 168.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 1.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 20' ' ' LEU . 1.2 tp -111.64 140.83 23.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -82.41 174.85 9.5 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.255 3.303 . . . . 1.0 109.595 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -100.86 49.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 1.0 109.275 -179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 5.2 m-20 162.12 74.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -103.9 133.11 49.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 1.0 108.013 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.83 139.65 53.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 1.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.8 t -53.32 132.65 52.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 1.0 108.378 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -72.15 -1.97 10.89 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.263 3.309 . . . . 1.0 109.608 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.1 t -108.88 -91.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 1.0 109.272 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.6 p -50.29 -50.38 50.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 108.279 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 108.25 -11.43 36.83 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 1.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.69 163.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 1.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.2 p -73.42 172.11 11.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 1.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -85.48 48.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 1.0 109.253 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -106.11 -47.69 3.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 1.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 34' ' ' ASP . . . -66.61 -16.6 64.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 1.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.507 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 20.8 m-85 -64.25 132.67 50.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 1.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -109.85 149.36 29.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 1.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.91 86.6 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 1.0 109.232 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 1.0 110.272 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.569 ' CB ' ' HG3' ' A' ' 15' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.628 HG22 HG23 ' A' ' 5' ' ' VAL . 14.3 mt -136.79 137.78 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 1.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -107.23 96.05 6.14 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.989 -1.005 . . . . 1.0 109.842 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.628 HG23 HG22 ' A' ' 3' ' ' ILE . 24.4 t -105.19 115.78 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.9 t -54.43 152.15 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 108.361 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -110.9 12.41 22.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 1.0 110.394 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.5 t -107.3 -53.76 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 1.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.8 -20.18 13.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 1.0 108.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 94.45 7.34 60.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.424 1.078 . . . . 1.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' GLY . 16.1 t80 -39.46 154.8 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.803 -0.617 . . . . 1.0 109.879 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HG3' HG13 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -127.55 124.38 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 1.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 56.0 t80 -125.77 161.9 26.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.947 -1.024 . . . . 1.0 109.825 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.598 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 2.5 t70 -128.75 140.98 40.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 1.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.661 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 91.7 Cg_endo -78.78 100.49 1.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.298 3.332 . . . . 1.0 109.584 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 165.3 68.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -148.12 -172.12 3.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 1.0 111.007 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.38 59.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 179.49 94.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.04 78.75 15.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 1.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.74 168.61 20.81 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.293 3.329 . . . . 1.0 109.591 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.27 37.28 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 109.237 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -160.83 48.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -95.78 142.43 28.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 107.975 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 1.005 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -130.91 135.22 47.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 1.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' GLY . 6.2 t -46.35 106.04 0.53 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 1.0 108.321 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -46.22 -20.43 0.86 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.296 3.331 . . . . 1.0 109.634 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 26' ' ' CYS . 96.5 t -83.63 -90.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 1.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.6 p -60.52 -47.7 85.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 108.311 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 1.005 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 114.41 -15.63 20.03 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 1.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.32 158.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 0.791 . . . . 1.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -72.9 167.81 20.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.12 48.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 1.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -117.47 -46.0 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 1.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.74 -21.69 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 1.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -61.84 133.52 55.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 1.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -108.7 140.74 41.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 1.0 110.327 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.98 86.52 4.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 110.329 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.708 HG22 HG23 ' A' ' 5' ' ' VAL . 3.2 mt -135.32 134.68 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 1.0 109.331 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.744 ' CD1' ' HG2' ' A' ' 15' ' ' PRO . 2.8 m-85 -114.55 81.93 1.64 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.039 -0.982 . . . . 1.0 109.887 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.708 HG23 HG22 ' A' ' 3' ' ' ILE . 76.5 t -86.65 118.4 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 t -58.86 150.12 24.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 1.0 108.316 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.4 p -109.39 16.99 21.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.8 t -112.18 -53.74 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.79 -20.06 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 108.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.67 9.61 59.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 1.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -39.43 148.58 0.06 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.029 -0.586 . . . . 1.0 109.888 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.505 ' CD ' HG22 ' A' ' 5' ' ' VAL . 1.6 mm-40 -120.16 114.77 22.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.456 1.097 . . . . 1.0 110.328 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -125.8 161.12 28.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.845 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.85 90.08 28.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 109.235 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.744 ' HG2' ' CD1' ' A' ' 4' ' ' TYR . 11.9 Cg_exo -34.59 109.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.313 3.342 . . . . 1.0 109.608 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 172.81 69.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 109.347 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -141.21 -166.89 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 1.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -119.03 -53.98 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.073 . . . . 1.0 110.355 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.17 99.93 8.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.223 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 tt -135.17 82.82 40.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.22 171.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.37 3.38 . . . . 1.0 109.567 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.57 38.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 1.0 109.216 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.0 50.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.6 137.59 57.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 108.038 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.75 137.37 51.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 44.1 t -50.41 133.59 25.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 108.334 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 77.2 Cg_endo -72.56 -0.67 9.15 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.284 3.323 . . . . 1.0 109.645 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -114.02 -93.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 1.0 109.301 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.8 p -47.37 -45.47 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 1.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.78 -6.16 51.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 1.0 111.066 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.64 164.23 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 0.766 . . . . 1.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.6 p -81.03 176.91 9.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 1.0 110.037 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 50.3 1.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 1.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -115.46 -43.19 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 1.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.81 -25.29 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 1.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -64.4 133.66 53.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -143.76 132.22 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 1.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 137.23 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 1.0 110.241 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.663 ' CG2' HG23 ' A' ' 5' ' ' VAL . 2.3 mt -140.87 146.76 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -120.74 80.98 1.7 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.889 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.875 HG22 ' HG2' ' A' ' 12' ' ' GLU . 54.1 t -87.37 115.02 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.2 t -48.06 151.73 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 1.0 108.263 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.3 p -110.21 16.75 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 110.387 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 t -112.8 -53.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 1.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 p -108.77 -20.55 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.382 1.051 . . . . 1.0 108.314 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 92.89 10.28 60.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.135 . . . . 1.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLY . 12.7 t80 -39.97 157.32 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.984 -0.608 . . . . 1.0 109.865 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.875 ' HG2' HG22 ' A' ' 5' ' ' VAL . 5.6 mt-10 -124.12 126.49 46.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.582 ' OH ' ' CD1' ' A' ' 17' ' ' PHE . 34.4 t80 -108.03 154.97 20.89 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.845 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -133.64 84.88 43.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 1.0 109.316 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -34.94 105.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.278 3.319 . . . . 1.0 109.647 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.98 34.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.582 ' CD1' ' OH ' ' A' ' 13' ' ' TYR . 41.6 p90 -105.83 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 1.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -129.36 118.2 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 1.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 46.27 88.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 1.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.536 HD12 ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -90.71 145.88 33.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.536 ' HD2' HD12 ' A' ' 20' ' ' LEU . 35.9 Cg_endo -60.18 171.29 3.22 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.313 3.342 . . . . 1.0 109.558 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -104.57 56.19 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 1.0 109.313 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 172.79 70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 1.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 7.4 t90 -94.65 141.53 28.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 107.95 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.57 137.76 52.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 1.0 109.353 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 4.4 t -55.73 132.43 72.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 1.0 108.264 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -70.7 -2.15 10.39 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.309 3.339 . . . . 1.0 109.613 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.27 -92.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 109.316 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.8 p -49.75 -49.7 47.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 1.0 108.319 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 108.85 -10.88 34.82 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.454 1.096 . . . . 1.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.03 164.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 0.806 . . . . 1.0 109.26 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.8 p -86.19 176.03 8.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 109.979 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -76.64 55.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 1.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -115.44 -49.75 2.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.48 -24.99 63.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 1.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -60.41 133.13 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 1.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -126.82 151.68 47.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.61 105.1 15.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 1.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.238 -0.653 . . . . 1.0 109.238 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.515 HG22 HG23 ' A' ' 5' ' ' VAL . 14.7 mt -138.42 140.47 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 1.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -117.15 95.34 4.94 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.82 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.723 HG22 ' HG2' ' A' ' 12' ' ' GLU . 89.5 t -93.88 121.52 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.7 t -55.78 152.41 9.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 108.25 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -110.38 15.58 22.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 110.443 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.4 t -111.53 -53.11 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.362 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -109.93 -19.1 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 1.0 108.321 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.88 9.49 60.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.088 . . . . 1.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.433 ' O ' HG13 ' A' ' 5' ' ' VAL . 13.7 t80 -40.06 157.72 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.008 -0.596 . . . . 1.0 109.857 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.723 ' HG2' HG22 ' A' ' 5' ' ' VAL . 3.6 mt-10 -127.82 112.88 15.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.403 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 66.3 t80 -97.43 157.03 16.21 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.809 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' ALA . 9.6 t70 -134.18 90.81 24.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.546 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.4 Cg_exo -34.41 93.97 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.313 3.342 . . . . 1.0 109.588 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 172.8 68.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 109.336 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -136.69 -172.63 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 1.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 4.7 tt0 -128.66 123.47 33.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER 74.94 98.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 109.352 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tt -121.97 83.68 44.2 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.52 171.92 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.271 3.314 . . . . 1.0 109.62 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.14 42.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.12 49.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.403 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 6.4 t90 -85.14 141.92 29.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.995 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -131.32 134.96 46.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 1.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 30' ' ' GLY . 5.7 t -46.7 106.26 0.56 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 1.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -46.51 -20.03 0.86 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.224 3.283 . . . . 1.0 109.651 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' CYS . 96.9 t -84.14 -90.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 1.0 109.298 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.6 p -60.15 -46.9 88.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 108.346 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.995 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 113.21 -15.37 22.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 1.0 111.011 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -43.0 161.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 1.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 p -76.13 170.26 16.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 47.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 1.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -116.29 -41.63 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.37 -21.96 66.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -63.15 136.04 57.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 1.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.99 152.25 39.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 1.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -57.54 127.09 30.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 1.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.7 HG22 HG23 ' A' ' 5' ' ' VAL . 22.7 mt -138.81 140.09 39.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 1.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -115.88 87.64 2.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.862 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.729 HG22 ' HG2' ' A' ' 12' ' ' GLU . 98.4 t -92.09 123.2 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 109.215 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.2 t -58.64 154.17 14.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 108.303 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.3 p -111.43 13.66 21.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.16 -52.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.0 109.266 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -109.08 -19.19 13.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 1.0 108.335 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.58 12.13 61.38 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.421 1.076 . . . . 1.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.555 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.1 t80 -41.03 157.66 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.974 -0.613 . . . . 1.0 109.882 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.729 ' HG2' HG22 ' A' ' 5' ' ' VAL . 2.6 mt-10 -128.52 113.79 15.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 1.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -102.62 161.68 13.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.785 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -136.99 93.06 13.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 1.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -34.63 97.49 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.342 3.361 . . . . 1.0 109.598 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.53 67.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.57 -163.65 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.554 1.159 . . . . 1.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.02 -62.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 1.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.04 104.53 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -122.3 83.67 46.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 1.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.7 -176.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 124.378 3.385 . . . . 1.0 109.586 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -110.5 48.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 1.0 109.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -171.58 55.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 1.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -88.97 138.95 30.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 1.0 108.022 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -127.77 134.68 49.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 1.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' GLY . 4.7 t -47.5 106.97 0.65 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 1.0 108.222 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -47.57 -19.89 1.45 Allowed 'Trans proline' 0 N--CA 1.446 -1.297 0 C-N-CA 124.31 3.34 . . . . 1.0 109.618 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -83.66 -89.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 1.0 109.269 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 9.4 p -61.27 -48.69 80.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 1.0 108.219 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.965 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 116.48 -17.66 13.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 1.0 111.012 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.72 156.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 1.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 p -68.73 176.82 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.187 . . . . 1.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.526 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -90.5 38.29 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 1.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -101.34 -53.81 2.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 1.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.47 -22.49 32.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 26.1 m-85 -60.68 134.84 57.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 1.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.19 145.85 29.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 110.238 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -61.39 119.26 8.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.579 1.174 . . . . 1.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 1.0 110.302 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.534 HG22 HG23 ' A' ' 5' ' ' VAL . 97.1 mt -137.14 142.94 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 1.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.403 ' HD2' ' CD1' ' A' ' 13' ' ' TYR . 63.6 m-85 -124.81 87.42 2.71 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.79 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 11' ' ' TYR . 78.6 t -98.68 120.26 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 1.0 109.369 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.1 t -50.95 150.25 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 1.0 108.305 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.8 p -107.49 21.75 17.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 1.0 110.354 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -117.93 -52.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 1.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -108.61 -24.28 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 108.297 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.84 18.14 45.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 1.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.895 ' CZ ' ' HG3' ' A' ' 27' ' ' PRO . 18.8 t80 -49.89 160.53 0.31 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.98 -0.61 . . . . 1.0 109.82 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -121.92 132.87 54.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 1.3 t80 -118.59 150.28 39.94 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.876 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.592 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 1.4 t70 -117.68 142.86 31.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 1.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -81.14 70.33 7.53 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 124.311 3.34 . . . . 1.0 109.566 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.91 69.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -138.07 168.06 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.52 56.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 1.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.27 94.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -128.11 81.17 70.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.23 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -65.34 177.21 2.74 Favored 'Trans proline' 0 N--CA 1.446 -1.318 0 C-N-CA 124.383 3.389 . . . . 1.0 109.615 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -103.54 42.02 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.65 50.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -90.43 138.44 31.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 1.0 108.009 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -127.65 136.54 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -42.75 136.83 2.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.378 1.049 . . . . 1.0 108.246 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.895 ' HG3' ' CZ ' ' A' ' 11' ' ' TYR . 98.5 Cg_endo -69.38 -5.26 15.53 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.314 3.343 . . . . 1.0 109.587 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t -112.97 -93.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 109.324 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 23.9 p -44.34 -51.46 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 1.0 108.311 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.862 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 107.43 -11.55 39.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.106 . . . . 1.0 110.972 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -51.81 164.49 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 0.757 . . . . 1.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.7 p -74.38 175.44 7.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 1.0 109.953 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 48.81 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 1.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -113.32 -33.65 5.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 1.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.77 42.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 1.0 109.236 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -120.77 138.96 53.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -163.89 153.1 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 1.0 110.355 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -50.68 135.45 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 1.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 1.0 110.273 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.526 ' CG2' HG23 ' A' ' 5' ' ' VAL . 1.2 mp -154.78 142.16 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 1.0 109.333 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -128.13 90.54 3.1 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.859 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 11' ' ' TYR . 57.7 t -102.64 120.6 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.58 157.17 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 1.0 108.312 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 5.9 p -114.59 2.71 14.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 1.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.1 t -96.16 -51.07 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 1.0 109.294 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.36 -22.91 12.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 1.0 108.277 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.37 19.11 46.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 1.0 111.065 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.76 ' O ' HG13 ' A' ' 5' ' ' VAL . 15.6 t80 -50.68 158.35 0.66 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.985 -0.607 . . . . 1.0 109.864 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.621 ' HG2' HG22 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -124.9 130.5 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 60.1 t80 -117.15 153.38 32.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.912 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -131.34 90.55 37.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 1.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.628 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 13.3 Cg_exo -35.08 116.61 0.11 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.3 3.333 . . . . 1.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 167.24 69.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 1.0 109.24 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.95 -162.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -134.39 -50.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 1.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.96 94.34 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.07 . . . . 1.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.05 80.7 71.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 1.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.4 -176.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.336 3.357 . . . . 1.0 109.625 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -106.42 54.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.7 61.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 1.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 2.4 t90 -92.84 139.95 30.01 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.958 -1.127 . . . . 1.0 107.958 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.8 135.9 53.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 1.0 109.229 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 3.2 t -54.98 132.9 67.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 108.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 95.9 Cg_endo -71.09 -2.08 10.56 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.314 3.343 . . . . 1.0 109.629 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.55 -91.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 1.0 109.291 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.7 p -49.75 -49.34 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 108.317 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.81 -11.08 38.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 1.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.85 165.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 1.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.428 ' OG ' ' CG ' ' A' ' 34' ' ' ASP . 5.1 p -73.04 178.18 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 110.003 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -15.67 62.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 1.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 24.5 p30 -71.8 -15.1 62.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 1.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -76.01 -8.86 57.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 1.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -97.75 142.62 29.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.409 1.068 . . . . 1.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -115.7 116.36 27.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 1.0 110.424 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.85 127.38 29.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 1.0 109.241 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 1.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 2.3 m-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.667 HG22 HG23 ' A' ' 5' ' ' VAL . 44.9 mt -136.19 138.96 46.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 1.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 38' ' ' LYS . 49.3 m-85 -120.06 87.42 2.74 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.816 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.667 HG23 HG22 ' A' ' 3' ' ' ILE . 24.9 t -95.93 128.76 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 1.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 t -67.29 148.21 51.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.5 p -107.67 19.08 20.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 1.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -113.56 -51.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 p -108.36 -25.23 11.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 1.0 108.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.88 22.58 35.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.556 1.16 . . . . 1.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.635 ' O ' HG13 ' A' ' 5' ' ' VAL . 50.1 t80 -60.97 166.2 3.64 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.006 -0.597 . . . . 1.0 109.826 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -129.0 133.69 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.237 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 62.8 t80 -114.08 167.52 10.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.865 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.418 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 4.6 t0 -140.16 92.59 9.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HG2' ' O ' ' A' ' 2' ' ' ASP . 12.0 Cg_exo -34.63 99.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.291 3.327 . . . . 1.0 109.645 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 178.11 70.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.345 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.81 173.77 11.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 1.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -35.49 77.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 1.0 110.346 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.88 -175.94 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.83 83.85 9.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 1.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.9 175.91 0.11 Allowed 'Trans proline' 0 N--CA 1.449 -1.128 0 C-N-CA 124.287 3.325 . . . . 1.0 109.573 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.63 58.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 1.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 176.88 60.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -102.23 134.89 44.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 108.004 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 31' ' ' ALA . . . -120.03 138.76 53.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 1.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.44 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -54.23 134.34 60.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 1.0 108.348 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 70.9 Cg_endo -72.72 -1.11 9.87 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.343 3.362 . . . . 1.0 109.643 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.4 t -114.1 -93.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 1.0 109.313 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.0 p -44.56 -44.21 8.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 1.0 108.297 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 87.61 33.71 11.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 1.0 111.05 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -95.69 161.88 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 1.0 109.392 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' LYS . 6.8 p -70.39 153.41 43.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 1.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ALA . 2.4 tmtt? -39.49 -47.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 1.0 109.392 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.719 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.3 p30 -48.76 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 34' ' ' ASP . . . 161.29 -27.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -77.18 138.72 39.63 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.43 1.081 . . . . 1.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -116.09 143.76 45.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 1.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -86.56 91.12 8.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 1.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 110.296 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.494 ' O ' HD12 ' A' ' 3' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.648 HG22 HG23 ' A' ' 5' ' ' VAL . 1.2 mp -156.72 140.9 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.456 ' CD2' ' HG3' ' A' ' 15' ' ' PRO . 35.3 m-85 -115.04 89.94 3.22 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.853 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.648 HG23 HG22 ' A' ' 3' ' ' ILE . 90.0 t -96.38 118.55 42.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.1 t -58.49 150.44 22.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.0 p -109.71 17.47 21.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 1.0 110.439 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -112.45 -52.61 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.33 -21.82 12.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 1.0 108.332 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.39 21.54 40.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.442 1.089 . . . . 1.0 110.954 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 19.5 t80 -54.1 152.56 5.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.978 -0.611 . . . . 1.0 109.82 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.55 ' HG3' HG22 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -120.44 125.5 48.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -116.88 167.63 10.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.799 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -139.54 90.98 11.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 1.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.664 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 26.9 Cg_exo -36.41 114.31 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 1.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 164.37 71.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.08 166.77 25.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 1.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.74 -174.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -41.55 111.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 1.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.6 HD23 ' HD2' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -72.77 147.24 88.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 1.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HD2' HD23 ' A' ' 20' ' ' LEU . 87.1 Cg_endo -80.7 176.61 8.89 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.243 3.295 . . . . 1.0 109.588 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -110.53 58.89 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 1.0 109.302 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 164.42 74.26 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.481 1.113 . . . . 1.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -103.62 133.62 48.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 108.006 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.57 139.87 52.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 1.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.9 t -53.84 132.56 57.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 108.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.17 -2.92 11.9 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.341 3.361 . . . . 1.0 109.584 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.9 t -108.51 -92.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.5 p -48.57 -50.89 30.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 1.0 108.293 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.99 -10.77 37.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 1.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.14 163.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 1.0 109.28 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.0 p -75.96 170.8 15.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 1.0 110.065 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -82.15 52.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 1.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -115.89 -37.89 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.85 -18.5 60.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -64.97 133.58 52.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 1.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -140.09 140.39 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 110.29 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -65.23 140.32 58.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 1.0 109.373 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 1.0 110.3 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.645 HG22 HG23 ' A' ' 5' ' ' VAL . 2.8 mp -138.36 143.0 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 1.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 15' ' ' PRO . 39.3 m-85 -115.78 97.7 6.27 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.029 -0.987 . . . . 1.0 109.824 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.645 HG23 HG22 ' A' ' 3' ' ' ILE . 39.4 t -108.3 114.31 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.728 ' SG ' HG12 ' A' ' 8' ' ' VAL . 3.5 t -60.0 153.65 20.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 1.0 108.29 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.1 p -109.44 10.73 25.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 1.0 110.387 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.728 HG12 ' SG ' ' A' ' 6' ' ' CYS . 3.4 p -117.25 7.05 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 1.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 6' ' ' CYS . 6.5 p -164.69 -42.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 1.0 108.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 102.58 9.6 40.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.414 1.071 . . . . 1.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 27' ' ' PRO . 18.0 t80 -39.13 156.48 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.034 -0.583 . . . . 1.0 109.84 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.78 118.09 21.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 1.0 110.35 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -119.14 160.36 22.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.967 -1.015 . . . . 1.0 109.811 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -123.98 96.81 41.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 1.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HG3' ' CD2' ' A' ' 4' ' ' TYR . 25.7 Cg_exo -35.8 110.63 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 124.271 3.314 . . . . 1.0 109.633 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . -179.61 48.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 1.0 109.297 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.45 -160.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 1.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -145.62 -62.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 1.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -45.95 -69.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.449 1.093 . . . . 1.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER 39.0 85.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 1.0 109.297 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.03 167.2 23.87 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 124.297 3.331 . . . . 1.0 109.611 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.15 52.86 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 1.0 109.318 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t0 173.91 56.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -87.41 140.36 29.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 108.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 31' ' ' ALA . . . -124.44 139.75 53.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.47 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -46.99 140.85 6.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 1.0 108.303 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 41.6 Cg_endo -81.67 13.07 2.55 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.362 3.375 . . . . 1.0 109.517 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 t -131.73 -73.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 1.0 109.341 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 29.0 p -64.48 -40.66 96.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.604 1.19 . . . . 1.0 108.292 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.07 33.63 25.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 1.0 111.012 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -95.24 152.91 17.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 1.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.409 ' HG ' ' CG ' ' A' ' 34' ' ' ASP . 23.8 p -61.32 145.29 51.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 110.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' ALA . 11.3 ttmm -40.16 -45.82 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.705 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.9 p30 -50.15 92.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 1.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 34' ' ' ASP . . . 161.61 -28.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 1.0 109.23 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.27 140.86 52.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 1.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -129.05 122.77 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -62.03 114.9 3.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 1.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 1.0 110.238 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.239 -0.652 . . . . 1.0 109.239 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.8 HG22 HG23 ' A' ' 5' ' ' VAL . 8.1 mt -136.04 132.85 50.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.546 ' CD1' ' HG2' ' A' ' 15' ' ' PRO . 2.5 m-85 -116.8 83.33 1.95 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.82 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.8 HG23 HG22 ' A' ' 3' ' ' ILE . 44.0 t -92.66 119.9 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.18 149.9 31.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 1.0 108.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 p -109.43 14.91 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 1.0 110.371 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.6 t -109.77 -51.67 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -108.55 -22.01 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 1.0 108.216 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.35 9.32 60.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 1.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.469 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.4 t80 -40.82 155.87 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.986 -0.607 . . . . 1.0 109.855 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.3 132.45 52.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 1.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -145.34 164.14 32.38 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.056 -0.975 . . . . 1.0 109.84 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -137.95 90.08 14.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.546 ' HG2' ' CD1' ' A' ' 4' ' ' TYR . 12.1 Cg_exo -34.67 97.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 1.0 109.596 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.76 70.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 1.0 109.341 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.25 178.49 6.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.14 -72.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 1.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -136.87 158.46 44.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.566 1.166 . . . . 1.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.552 HD23 ' HD2' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -118.05 142.37 30.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.552 ' HD2' HD23 ' A' ' 20' ' ' LEU . 32.3 Cg_endo -85.42 174.0 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.314 3.343 . . . . 1.0 109.616 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.11 43.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 109.34 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 176.29 55.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 1.078 . . . . 1.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -81.73 136.09 35.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 1.0 108.076 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.08 138.87 52.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 4.3 t -53.11 132.43 50.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 1.0 108.289 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.63 -1.86 10.47 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.35 3.367 . . . . 1.0 109.622 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.22 -92.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.069 . . . . 1.0 109.269 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.1 p -49.64 -49.61 46.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 108.285 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.42 -9.95 38.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 1.0 111.042 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.09 163.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.61 0.829 . . . . 1.0 109.34 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -78.15 172.72 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 1.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -82.12 52.17 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -115.42 -39.41 3.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 1.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.64 -18.52 60.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 1.0 109.374 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -64.86 133.79 52.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 1.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -142.0 138.61 31.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -64.26 128.11 34.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.314 -0.624 . . . . 1.0 109.314 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.762 ' CG2' HG23 ' A' ' 5' ' ' VAL . 1.2 mp -147.21 146.6 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 1.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -119.81 76.68 1.17 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.012 -0.995 . . . . 1.0 109.868 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.938 HG22 ' HG2' ' A' ' 12' ' ' GLU . 73.2 t -83.99 115.51 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 1.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 t -48.57 150.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.3 p -108.79 19.23 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 1.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 t -115.43 -53.34 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.4 p -108.91 -22.01 12.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 1.0 108.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.62 10.24 58.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 1.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.673 ' CZ ' ' HG3' ' A' ' 27' ' ' PRO . 14.4 t80 -40.25 158.64 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 118.868 -0.586 . . . . 1.0 109.853 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.938 ' HG2' HG22 ' A' ' 5' ' ' VAL . 2.3 mt-10 -126.26 125.56 42.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 1.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -102.1 160.67 14.31 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.816 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' ALA . 9.2 t70 -134.21 86.87 35.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.7 Cg_exo -34.05 93.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.338 3.359 . . . . 1.0 109.548 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 177.77 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.24 -174.57 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -146.53 56.86 1.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 1.0 110.247 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' LEU . 9.8 t0 178.14 -67.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 109.237 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER 38.36 81.05 0.25 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 1.0 109.292 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.12 176.54 0.99 Allowed 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 124.276 3.317 . . . . 1.0 109.564 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.45 39.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.282 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -171.53 51.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.7 t90 -79.98 142.85 34.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 1.0 107.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.35 138.09 52.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 1.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.485 ' SG ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 t -53.04 133.04 49.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 108.242 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.673 ' HG3' ' CZ ' ' A' ' 11' ' ' TYR . 77.3 Cg_endo -70.45 -3.04 11.66 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.315 3.344 . . . . 1.0 109.595 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.12 -92.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 1.0 109.287 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.4 p -48.64 -51.83 26.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 1.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 109.54 -11.77 33.01 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 1.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.44 161.81 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 1.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 p -74.3 170.01 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -80.92 53.25 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -112.9 -51.12 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.31 -21.68 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 1.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 32.9 m-85 -61.11 133.98 56.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.69 146.15 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -78.74 97.78 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 1.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 4.9 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.553 0.216 . . . . 1.0 111.018 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 2.0 p-10 164.8 56.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.565 ' CG2' HG23 ' A' ' 5' ' ' VAL . 30.3 mm -148.98 143.0 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -125.93 78.81 1.78 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.025 -0.988 . . . . 1.0 109.806 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 11' ' ' TYR . 54.7 t -90.75 118.58 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.52 ' SG ' ' CE1' ' A' ' 36' ' ' PHE . 8.9 t -50.86 146.61 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 1.0 108.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.6 p -106.6 20.57 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.2 t -115.33 -51.87 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.48 -21.48 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 1.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.44 23.49 33.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.783 ' O ' HG13 ' A' ' 5' ' ' VAL . 7.3 t80 -54.13 162.58 0.98 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.02 -0.59 . . . . 1.0 109.814 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HA ' HG22 ' A' ' 5' ' ' VAL . 1.7 tt0 -124.93 127.12 46.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 1.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.49 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 36.4 t80 -141.08 150.16 42.56 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.815 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.49 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -118.41 139.93 27.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.45 ' CD ' ' O ' ' A' ' 2' ' ' ASP . 64.8 Cg_endo -79.78 70.42 7.52 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.302 3.335 . . . . 1.0 109.647 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.64 38.61 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 1.0 109.27 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 19.4 p90 -102.91 -171.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -135.37 -45.34 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 7.9 t0 -105.82 95.6 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -115.89 86.89 17.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 1.0 109.251 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 20' ' ' LEU . 71.4 Cg_exo -47.23 174.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.3 3.334 . . . . 1.0 109.563 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.97 57.45 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 1.0 109.273 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t0 173.54 71.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 1.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -108.17 130.71 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 108.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.36 139.45 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.411 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 2.0 t -50.12 135.29 22.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 108.319 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 89.2 Cg_endo -83.26 19.56 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.309 3.34 . . . . 1.0 109.598 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.48 -73.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 109.304 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -70.63 -32.65 70.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 108.32 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.29 -12.77 67.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 1.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.09 160.21 2.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 1.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.8 p -68.36 165.05 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 46.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -108.25 -31.8 7.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 1.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.85 -2.73 41.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CE1' ' SG ' ' A' ' 6' ' ' CYS . 6.7 m-85 -79.62 134.95 36.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 1.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LYS . 2.8 tt0 -165.46 150.99 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 1.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 1' ' ' MET . 4.1 ttpt -40.05 139.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 1.0 110.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.484 0.183 . . . . 1.0 110.98 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 51.54 98.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.148 . . . . 1.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.686 HG22 HG23 ' A' ' 5' ' ' VAL . 15.8 mm -141.85 140.86 30.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 1.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -120.2 83.77 2.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.954 -1.021 . . . . 1.0 109.843 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.852 HG22 ' HG2' ' A' ' 12' ' ' GLU . 61.1 t -88.43 119.15 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 1.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.6 t -48.71 148.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 1.0 108.262 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -107.4 17.03 23.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 t -112.22 -52.1 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 1.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.4 p -107.84 -25.05 11.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.619 1.199 . . . . 1.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.75 15.24 46.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.123 . . . . 1.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.838 ' O ' HG13 ' A' ' 5' ' ' VAL . 19.3 t80 -51.66 166.35 0.14 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.023 -0.589 . . . . 1.0 109.884 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.852 ' HG2' HG22 ' A' ' 5' ' ' VAL . 7.6 mt-10 -128.75 124.3 35.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 1.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.425 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 62.5 t80 -104.47 164.77 11.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.796 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 t70 -134.88 97.59 13.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.689 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 11.3 Cg_exo -34.48 131.98 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.321 3.348 . . . . 1.0 109.601 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 15' ' ' PRO . . . 83.05 73.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 1.0 109.394 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -93.28 -64.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 1.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -178.99 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 1.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LEU . 2.8 m-20 -96.21 -49.9 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 1.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 38.4 83.42 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 1.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -81.67 178.42 6.59 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.38 3.387 . . . . 1.0 109.578 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.73 35.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 1.0 109.31 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -162.59 43.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 1.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -80.17 140.05 36.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 108.0 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.77 140.06 53.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.514 ' CB ' ' HG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -42.34 139.0 1.95 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 1.0 108.351 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.546 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -84.67 15.53 2.17 Favored 'Trans proline' 0 N--CA 1.446 -1.3 0 C-N-CA 124.292 3.328 . . . . 1.0 109.632 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.6 t -139.6 -73.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 109.325 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.514 ' HG ' ' CB ' ' A' ' 26' ' ' CYS . 18.8 p -63.9 -21.91 66.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 1.0 108.311 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.46 35.45 91.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 1.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . . . -103.07 159.93 15.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 p -60.57 153.76 22.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 1.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.2 49.42 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.388 1.055 . . . . 1.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -114.92 -41.42 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 1.0 109.237 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.84 -13.04 41.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 1.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.43 133.42 49.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 1.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 2.5 tp10 -156.21 145.14 20.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -39.91 139.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.302 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtp . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.518 0.199 . . . . 1.0 111.05 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 44.12 91.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 1.0 109.228 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.623 HG22 HG23 ' A' ' 5' ' ' VAL . 68.7 mt -145.33 133.97 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 1.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -112.69 92.07 3.88 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.824 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.623 HG23 HG22 ' A' ' 3' ' ' ILE . 40.0 t -95.94 114.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 1.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.2 t -50.62 152.13 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 108.271 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.463 ' OG1' ' HB1' ' A' ' 35' ' ' ALA . 45.7 p -109.81 18.19 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 110.424 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.6 t -115.11 -52.87 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 1.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.2 p -108.57 -20.86 12.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 108.348 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 91.37 11.84 60.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 1.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.491 ' CE2' ' CG ' ' A' ' 27' ' ' PRO . 11.8 t80 -39.93 157.28 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.998 -0.601 . . . . 1.0 109.808 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.66 119.26 25.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 1.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -105.51 157.58 17.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.847 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' PRO . 19.9 t0 -135.12 88.64 25.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 1.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.547 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.6 Cg_exo -34.53 107.14 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.282 3.321 . . . . 1.0 109.616 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 173.19 68.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 1.0 109.266 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -154.13 -171.58 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -144.81 62.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 1.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.43 94.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 1.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tt -143.39 82.84 11.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.71 -175.61 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.315 3.344 . . . . 1.0 109.641 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.18 55.78 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 178.24 62.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 1.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -97.5 139.35 33.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 1.0 108.029 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.77 138.84 53.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 1.0 109.234 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.0 t -52.74 133.07 46.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 1.0 108.286 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.491 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 93.2 Cg_endo -72.45 -2.03 11.12 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.312 3.341 . . . . 1.0 109.603 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.8 t -109.11 -91.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 109.331 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.0 p -49.89 -49.84 48.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 108.28 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.46 -11.72 39.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 1.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.41 164.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 1.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 p -68.5 170.33 9.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 1.0 109.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -90.24 40.69 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 1.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -96.15 -50.62 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 1.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.463 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -61.29 -15.09 31.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 10.6 m-85 -64.55 135.21 55.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 1.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.94 154.08 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 1.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -94.56 105.32 17.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 1.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 110.294 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mtt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.478 0.18 . . . . 1.0 111.048 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.454 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -166.56 156.18 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 1.0 109.372 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.454 HD13 ' O ' ' A' ' 2' ' ' ASP . 33.0 mm -144.96 140.0 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -131.18 105.5 7.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.069 -0.969 . . . . 1.0 109.85 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.893 HG13 ' O ' ' A' ' 11' ' ' TYR . 69.9 t -108.77 128.22 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.44 ' SG ' ' CE1' ' A' ' 36' ' ' PHE . 6.2 t -57.76 141.23 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 35' ' ' ALA . 71.3 p -103.56 20.25 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 1.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.4 t -114.95 -51.57 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 1.0 109.362 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 p -108.17 -22.04 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 108.267 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.94 5.53 59.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 1.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.893 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.3 t80 -41.89 161.29 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.024 -0.588 . . . . 1.0 109.802 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' CG ' HG22 ' A' ' 5' ' ' VAL . 3.4 mt-10 -126.49 136.41 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 1.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.456 ' CE1' ' CH2' ' A' ' 24' ' ' TRP . 42.5 t80 -116.19 154.25 30.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.03 -0.986 . . . . 1.0 109.848 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -136.13 88.03 22.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.675 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 33.0 Cg_exo -36.29 127.11 0.4 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 124.307 3.338 . . . . 1.0 109.544 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 163.1 -29.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 1.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -54.41 -174.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 1.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -127.61 -57.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 1.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.95 95.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 1.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.47 81.98 66.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.18 172.76 12.48 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.308 3.339 . . . . 1.0 109.683 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -94.24 53.22 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 1.0 109.293 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -179.57 56.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CH2' ' CE1' ' A' ' 13' ' ' TYR . 2.0 t90 -97.41 136.11 38.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 1.0 108.022 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.998 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -128.31 139.86 52.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 1.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' GLY . 5.5 t -48.65 107.38 0.75 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 1.0 108.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.22 -18.97 1.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.291 3.327 . . . . 1.0 109.594 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -85.02 -90.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 109.351 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.9 p -59.32 -46.9 87.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 1.0 108.34 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.998 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 114.04 -16.38 20.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 1.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.17 160.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 1.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.404 ' OG ' ' OD1' ' A' ' 34' ' ' ASP . 92.4 p -69.08 173.55 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 1.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.59 15.0 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 26.7 p-10 -86.3 -22.68 26.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.446 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -82.27 -6.86 59.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 109.313 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CE1' ' SG ' ' A' ' 6' ' ' CYS . 5.0 m-85 -83.17 137.84 33.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 1.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -153.66 153.02 31.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 1.0 110.248 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -44.37 141.12 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 109.293 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 1.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.582 0.23 . . . . 1.0 111.017 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -122.95 -59.59 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 1.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.7 mt -149.72 142.39 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 1.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -126.75 102.89 7.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.758 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 11' ' ' TYR . 33.6 t -109.42 130.06 63.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 1.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -65.1 147.4 53.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 1.0 108.343 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 p -107.27 16.02 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 1.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.79 -50.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 p -108.0 -25.03 11.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 1.0 108.274 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.91 15.23 53.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.416 1.073 . . . . 1.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.825 ' O ' HG13 ' A' ' 5' ' ' VAL . 26.2 t80 -53.06 160.25 1.04 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.044 -0.578 . . . . 1.0 109.825 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.747 ' HG2' HG22 ' A' ' 5' ' ' VAL . 5.5 mt-10 -126.06 131.97 52.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 110.236 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -112.67 159.47 18.87 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.955 -1.02 . . . . 1.0 109.836 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.07 90.6 25.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.064 . . . . 1.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -36.11 94.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.289 3.326 . . . . 1.0 109.606 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' CD1' ' A' ' 17' ' ' PHE . . . -177.25 70.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.309 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 13.5 m-85 -149.69 -171.03 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -138.52 55.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.94 93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 1.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tt -136.03 83.32 34.17 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -83.64 177.29 6.38 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 124.29 3.327 . . . . 1.0 109.626 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -93.62 55.84 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 1.0 109.266 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -178.25 60.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.6 t90 -100.83 139.1 37.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 107.999 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 31' ' ' ALA . . . -125.14 137.58 54.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 1.0 109.237 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 1.3 t -53.19 133.87 50.92 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 1.0 108.265 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 71.2 Cg_endo -72.89 -0.57 9.18 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.241 3.294 . . . . 1.0 109.604 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.4 t -113.8 -92.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 1.0 109.337 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 27.5 p -45.59 -44.14 12.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 1.0 108.297 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 88.16 33.2 10.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 1.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -94.28 162.8 13.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 1.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.437 ' HG ' ' CG ' ' A' ' 34' ' ' ASP . 77.5 p -69.58 152.27 44.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 1.0 109.922 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ALA . 13.3 tmtt? -40.13 -51.09 2.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.7 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -46.37 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 34' ' ' ASP . . . 161.7 -28.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 1.0 109.267 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -76.39 140.82 41.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 1.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.77 148.18 33.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 110.258 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -52.63 139.67 25.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 1.0 109.221 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.467 ' OE1' HG21 ' A' ' 5' ' ' VAL . 1.8 tt0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 1.0 110.281 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 mmt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.453 0.168 . . . . 1.0 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -114.52 85.68 2.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 1.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.805 ' CG2' HG23 ' A' ' 5' ' ' VAL . 12.4 mt -140.07 142.35 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 71.17 0.75 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.977 -1.01 . . . . 1.0 109.844 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.805 HG23 ' CG2' ' A' ' 3' ' ' ILE . 75.0 t -76.42 117.32 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 1.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.4 t -55.05 152.94 7.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 108.291 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -110.96 14.7 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.61 -53.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 1.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.08 -19.4 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.362 1.039 . . . . 1.0 108.314 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.22 10.92 60.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 1.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 13.0 t80 -39.67 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 118.871 -0.585 . . . . 1.0 109.841 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.591 ' HG2' HG22 ' A' ' 5' ' ' VAL . 8.4 mt-10 -127.13 111.45 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' CE1' ' A' ' 17' ' ' PHE . 74.6 t80 -101.49 158.95 15.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.826 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.63 91.84 24.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.683 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 10.9 Cg_exo -34.6 103.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.348 3.365 . . . . 1.0 109.582 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 163.66 69.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.276 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CE1' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m-85 -137.19 -172.15 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 1.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 2.0 tt0 -133.24 123.92 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 1.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER 80.83 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 1.0 109.239 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -119.94 82.55 28.62 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.082 . . . . 1.0 109.29 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -47.58 168.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.396 3.398 . . . . 1.0 109.576 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.77 37.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.85 60.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -88.79 139.77 30.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.54 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 42.8 t -48.57 133.66 13.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 1.0 108.345 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 73.6 Cg_endo -72.77 -0.88 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.33 3.353 . . . . 1.0 109.599 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.21 -93.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 109.335 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.4 p -46.4 -45.18 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.0 108.267 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.14 -6.29 53.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.457 1.098 . . . . 1.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 163.93 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 1.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.6 p -75.86 173.82 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.82 50.11 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 1.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -112.86 -52.44 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.34 63.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -62.45 133.83 55.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 1.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -120.77 147.66 45.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 1.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 98.34 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 1.0 110.3 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 mmt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.453 0.168 . . . . 1.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -114.52 85.68 2.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 1.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.805 ' CG2' HG23 ' A' ' 5' ' ' VAL . 12.4 mt -140.07 142.35 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 71.17 0.75 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.977 -1.01 . . . . 1.0 109.844 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.805 HG23 ' CG2' ' A' ' 3' ' ' ILE . 75.0 t -76.42 117.32 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 1.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.4 t -55.05 152.94 7.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 108.291 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -110.96 14.7 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.61 -53.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 1.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.08 -19.4 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.362 1.039 . . . . 1.0 108.314 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.22 10.92 60.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 1.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 13.0 t80 -39.67 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 118.871 -0.585 . . . . 1.0 109.841 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.591 ' HG2' HG22 ' A' ' 5' ' ' VAL . 8.4 mt-10 -127.13 111.45 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' CE1' ' A' ' 17' ' ' PHE . 74.6 t80 -101.49 158.95 15.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.826 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.63 91.84 24.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.683 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 10.9 Cg_exo -34.6 103.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.348 3.365 . . . . 1.0 109.582 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 163.66 69.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.276 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CE1' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m-85 -137.19 -172.15 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 1.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 2.0 tt0 -133.24 123.92 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 1.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER 80.83 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 1.0 109.239 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -119.94 82.55 28.62 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.082 . . . . 1.0 109.29 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -47.58 168.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.396 3.398 . . . . 1.0 109.576 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.77 37.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.85 60.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -88.79 139.77 30.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.54 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 42.8 t -48.57 133.66 13.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 1.0 108.345 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 73.6 Cg_endo -72.77 -0.88 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.33 3.353 . . . . 1.0 109.599 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.21 -93.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 109.335 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.4 p -46.4 -45.18 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.0 108.267 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.14 -6.29 53.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.457 1.098 . . . . 1.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 163.93 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 1.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.6 p -75.86 173.82 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.82 50.11 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 1.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -112.86 -52.44 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.34 63.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -62.45 133.83 55.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 1.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -120.77 147.66 45.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 1.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 98.34 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 1.0 110.3 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtp . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.531 0.205 . . . . 1.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.413 ' CG ' ' HB3' ' A' ' 15' ' ' PRO . 5.3 p-10 178.96 164.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.382 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.458 ' CG2' HG23 ' A' ' 5' ' ' VAL . 76.8 mt -146.82 143.81 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 109.234 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -126.44 85.07 2.34 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.8 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.458 HG23 ' CG2' ' A' ' 3' ' ' ILE . 45.2 t -95.86 119.55 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.612 1.195 . . . . 1.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 t -54.46 149.62 10.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 1.0 108.301 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.1 p -109.65 17.98 20.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 1.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -113.85 -51.39 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 109.235 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 p -108.86 -19.99 13.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 1.0 108.299 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.05 19.99 51.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 1.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.411 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.2 t80 -52.46 154.5 2.51 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.015 -0.593 . . . . 1.0 109.858 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.21 131.88 56.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.049 . . . . 1.0 110.362 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 85.6 t80 -118.46 166.87 12.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.056 -0.974 . . . . 1.0 109.841 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 2.8 t70 -140.79 139.72 20.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.625 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 95.3 Cg_endo -72.25 94.42 0.74 Allowed 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 124.31 3.34 . . . . 1.0 109.574 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 168.51 70.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 1.0 109.272 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -138.56 166.65 23.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 1.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -73.95 69.48 1.43 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.153 . . . . 1.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.73 168.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 1.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 20' ' ' LEU . 1.2 tp -111.64 140.83 23.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -82.41 174.85 9.5 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.255 3.303 . . . . 1.0 109.595 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -100.86 49.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 1.0 109.275 -179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 5.2 m-20 162.12 74.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -103.9 133.11 49.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 1.0 108.013 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.83 139.65 53.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 1.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.8 t -53.32 132.65 52.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 1.0 108.378 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -72.15 -1.97 10.89 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.263 3.309 . . . . 1.0 109.608 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.1 t -108.88 -91.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 1.0 109.272 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.6 p -50.29 -50.38 50.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 108.279 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 108.25 -11.43 36.83 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 1.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.69 163.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 1.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.2 p -73.42 172.11 11.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 1.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -85.48 48.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 1.0 109.253 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -106.11 -47.69 3.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 1.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 34' ' ' ASP . . . -66.61 -16.6 64.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 1.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.507 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 20.8 m-85 -64.25 132.67 50.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 1.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -109.85 149.36 29.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 1.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.91 86.6 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 1.0 109.232 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 1.0 110.272 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.548 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.498 0.19 . . . . 1.0 110.983 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.569 ' CB ' ' HG3' ' A' ' 15' ' ' PRO . 1.0 OUTLIER 57.79 80.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 1.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.628 HG22 HG23 ' A' ' 5' ' ' VAL . 14.3 mt -136.79 137.78 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 1.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -107.23 96.05 6.14 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.989 -1.005 . . . . 1.0 109.842 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.628 HG23 HG22 ' A' ' 3' ' ' ILE . 24.4 t -105.19 115.78 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.9 t -54.43 152.15 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 108.361 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -110.9 12.41 22.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 1.0 110.394 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.5 t -107.3 -53.76 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 1.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.8 -20.18 13.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 1.0 108.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 94.45 7.34 60.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.424 1.078 . . . . 1.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' GLY . 16.1 t80 -39.46 154.8 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.803 -0.617 . . . . 1.0 109.879 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HG3' HG13 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -127.55 124.38 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 1.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 56.0 t80 -125.77 161.9 26.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.947 -1.024 . . . . 1.0 109.825 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.598 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 2.5 t70 -128.75 140.98 40.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 1.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.661 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 91.7 Cg_endo -78.78 100.49 1.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.298 3.332 . . . . 1.0 109.584 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 165.3 68.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -148.12 -172.12 3.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 1.0 111.007 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.38 59.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 179.49 94.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.04 78.75 15.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 1.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.74 168.61 20.81 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.293 3.329 . . . . 1.0 109.591 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.27 37.28 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 109.237 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -160.83 48.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -95.78 142.43 28.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 107.975 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 1.005 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -130.91 135.22 47.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 1.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' GLY . 6.2 t -46.35 106.04 0.53 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 1.0 108.321 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -46.22 -20.43 0.86 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.296 3.331 . . . . 1.0 109.634 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 26' ' ' CYS . 96.5 t -83.63 -90.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 1.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.6 p -60.52 -47.7 85.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 108.311 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 1.005 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 114.41 -15.63 20.03 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 1.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.32 158.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 0.791 . . . . 1.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -72.9 167.81 20.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.12 48.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 1.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -117.47 -46.0 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 1.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.74 -21.69 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 1.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -61.84 133.52 55.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 1.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -108.7 140.74 41.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 1.0 110.327 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.98 86.52 4.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 110.329 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.591 0.234 . . . . 1.0 111.062 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -90.31 161.49 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 1.0 109.343 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.708 HG22 HG23 ' A' ' 5' ' ' VAL . 3.2 mt -135.32 134.68 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 1.0 109.331 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.744 ' CD1' ' HG2' ' A' ' 15' ' ' PRO . 2.8 m-85 -114.55 81.93 1.64 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.039 -0.982 . . . . 1.0 109.887 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.708 HG23 HG22 ' A' ' 3' ' ' ILE . 76.5 t -86.65 118.4 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 t -58.86 150.12 24.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 1.0 108.316 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.4 p -109.39 16.99 21.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.8 t -112.18 -53.74 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.79 -20.06 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 108.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.67 9.61 59.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 1.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -39.43 148.58 0.06 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.029 -0.586 . . . . 1.0 109.888 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.505 ' CD ' HG22 ' A' ' 5' ' ' VAL . 1.6 mm-40 -120.16 114.77 22.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.456 1.097 . . . . 1.0 110.328 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -125.8 161.12 28.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.845 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.85 90.08 28.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 109.235 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.744 ' HG2' ' CD1' ' A' ' 4' ' ' TYR . 11.9 Cg_exo -34.59 109.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.313 3.342 . . . . 1.0 109.608 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 172.81 69.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 109.347 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -141.21 -166.89 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 1.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -119.03 -53.98 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.073 . . . . 1.0 110.355 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.17 99.93 8.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.223 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 tt -135.17 82.82 40.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.22 171.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.37 3.38 . . . . 1.0 109.567 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.57 38.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 1.0 109.216 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.0 50.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.6 137.59 57.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 108.038 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.75 137.37 51.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 44.1 t -50.41 133.59 25.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 108.334 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 77.2 Cg_endo -72.56 -0.67 9.15 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.284 3.323 . . . . 1.0 109.645 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -114.02 -93.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 1.0 109.301 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.8 p -47.37 -45.47 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 1.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.78 -6.16 51.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 1.0 111.066 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.64 164.23 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 0.766 . . . . 1.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.6 p -81.03 176.91 9.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 1.0 110.037 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 50.3 1.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 1.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -115.46 -43.19 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 1.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.81 -25.29 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 1.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -64.4 133.66 53.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -143.76 132.22 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 1.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 137.23 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 1.0 110.241 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.517 0.198 . . . . 1.0 110.987 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.85 96.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 1.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.663 ' CG2' HG23 ' A' ' 5' ' ' VAL . 2.3 mt -140.87 146.76 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -120.74 80.98 1.7 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.889 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.875 HG22 ' HG2' ' A' ' 12' ' ' GLU . 54.1 t -87.37 115.02 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.2 t -48.06 151.73 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 1.0 108.263 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.3 p -110.21 16.75 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 110.387 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 t -112.8 -53.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 1.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 p -108.77 -20.55 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.382 1.051 . . . . 1.0 108.314 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 92.89 10.28 60.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.135 . . . . 1.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLY . 12.7 t80 -39.97 157.32 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.984 -0.608 . . . . 1.0 109.865 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.875 ' HG2' HG22 ' A' ' 5' ' ' VAL . 5.6 mt-10 -124.12 126.49 46.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.582 ' OH ' ' CD1' ' A' ' 17' ' ' PHE . 34.4 t80 -108.03 154.97 20.89 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.845 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -133.64 84.88 43.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 1.0 109.316 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -34.94 105.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.278 3.319 . . . . 1.0 109.647 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.98 34.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.582 ' CD1' ' OH ' ' A' ' 13' ' ' TYR . 41.6 p90 -105.83 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 1.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -129.36 118.2 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 1.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 46.27 88.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 1.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.536 HD12 ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -90.71 145.88 33.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.536 ' HD2' HD12 ' A' ' 20' ' ' LEU . 35.9 Cg_endo -60.18 171.29 3.22 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.313 3.342 . . . . 1.0 109.558 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -104.57 56.19 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 1.0 109.313 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 172.79 70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 1.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 7.4 t90 -94.65 141.53 28.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 107.95 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.57 137.76 52.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 1.0 109.353 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 4.4 t -55.73 132.43 72.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 1.0 108.264 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -70.7 -2.15 10.39 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.309 3.339 . . . . 1.0 109.613 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.27 -92.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 109.316 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.8 p -49.75 -49.7 47.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 1.0 108.319 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 108.85 -10.88 34.82 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.454 1.096 . . . . 1.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.03 164.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 0.806 . . . . 1.0 109.26 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.8 p -86.19 176.03 8.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 109.979 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -76.64 55.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 1.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -115.44 -49.75 2.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.48 -24.99 63.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 1.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -60.41 133.13 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 1.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -126.82 151.68 47.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.61 105.1 15.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 1.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtp . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.515 0.198 . . . . 1.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.73 135.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 1.0 109.238 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.515 HG22 HG23 ' A' ' 5' ' ' VAL . 14.7 mt -138.42 140.47 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 1.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -117.15 95.34 4.94 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.82 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.723 HG22 ' HG2' ' A' ' 12' ' ' GLU . 89.5 t -93.88 121.52 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.7 t -55.78 152.41 9.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 108.25 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -110.38 15.58 22.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 110.443 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.4 t -111.53 -53.11 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.362 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -109.93 -19.1 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 1.0 108.321 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.88 9.49 60.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.088 . . . . 1.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.433 ' O ' HG13 ' A' ' 5' ' ' VAL . 13.7 t80 -40.06 157.72 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.008 -0.596 . . . . 1.0 109.857 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.723 ' HG2' HG22 ' A' ' 5' ' ' VAL . 3.6 mt-10 -127.82 112.88 15.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.403 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 66.3 t80 -97.43 157.03 16.21 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.809 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' ALA . 9.6 t70 -134.18 90.81 24.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.546 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.4 Cg_exo -34.41 93.97 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.313 3.342 . . . . 1.0 109.588 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 172.8 68.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 109.336 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -136.69 -172.63 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 1.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 4.7 tt0 -128.66 123.47 33.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER 74.94 98.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 109.352 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tt -121.97 83.68 44.2 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.52 171.92 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.271 3.314 . . . . 1.0 109.62 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.14 42.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.12 49.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.403 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 6.4 t90 -85.14 141.92 29.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.995 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -131.32 134.96 46.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 1.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 30' ' ' GLY . 5.7 t -46.7 106.26 0.56 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 1.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -46.51 -20.03 0.86 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.224 3.283 . . . . 1.0 109.651 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' CYS . 96.9 t -84.14 -90.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 1.0 109.298 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.6 p -60.15 -46.9 88.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 108.346 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.995 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 113.21 -15.37 22.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 1.0 111.011 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -43.0 161.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 1.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 p -76.13 170.26 16.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 47.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 1.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -116.29 -41.63 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.37 -21.96 66.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -63.15 136.04 57.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 1.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.99 152.25 39.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 1.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -57.54 127.09 30.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 1.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.548 0.213 . . . . 1.0 110.981 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 43.47 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 109.364 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.7 HG22 HG23 ' A' ' 5' ' ' VAL . 22.7 mt -138.81 140.09 39.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 1.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -115.88 87.64 2.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.862 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.729 HG22 ' HG2' ' A' ' 12' ' ' GLU . 98.4 t -92.09 123.2 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 109.215 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.2 t -58.64 154.17 14.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 108.303 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.3 p -111.43 13.66 21.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.16 -52.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.0 109.266 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -109.08 -19.19 13.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 1.0 108.335 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.58 12.13 61.38 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.421 1.076 . . . . 1.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.555 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.1 t80 -41.03 157.66 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.974 -0.613 . . . . 1.0 109.882 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.729 ' HG2' HG22 ' A' ' 5' ' ' VAL . 2.6 mt-10 -128.52 113.79 15.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 1.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -102.62 161.68 13.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.785 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -136.99 93.06 13.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 1.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -34.63 97.49 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.342 3.361 . . . . 1.0 109.598 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.53 67.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.57 -163.65 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.554 1.159 . . . . 1.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.02 -62.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 1.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.04 104.53 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -122.3 83.67 46.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 1.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.7 -176.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 124.378 3.385 . . . . 1.0 109.586 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -110.5 48.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 1.0 109.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -171.58 55.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 1.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -88.97 138.95 30.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 1.0 108.022 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -127.77 134.68 49.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 1.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' GLY . 4.7 t -47.5 106.97 0.65 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 1.0 108.222 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -47.57 -19.89 1.45 Allowed 'Trans proline' 0 N--CA 1.446 -1.297 0 C-N-CA 124.31 3.34 . . . . 1.0 109.618 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -83.66 -89.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 1.0 109.269 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 9.4 p -61.27 -48.69 80.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 1.0 108.219 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.965 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 116.48 -17.66 13.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 1.0 111.012 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.72 156.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 1.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 p -68.73 176.82 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.187 . . . . 1.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.526 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -90.5 38.29 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 1.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -101.34 -53.81 2.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 1.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.47 -22.49 32.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 26.1 m-85 -60.68 134.84 57.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 1.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.19 145.85 29.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 110.238 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -61.39 119.26 8.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.579 1.174 . . . . 1.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 1.0 110.302 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mtt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.474 0.178 . . . . 1.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.19 157.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 1.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.534 HG22 HG23 ' A' ' 5' ' ' VAL . 97.1 mt -137.14 142.94 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 1.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.403 ' HD2' ' CD1' ' A' ' 13' ' ' TYR . 63.6 m-85 -124.81 87.42 2.71 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.79 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 11' ' ' TYR . 78.6 t -98.68 120.26 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 1.0 109.369 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.1 t -50.95 150.25 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 1.0 108.305 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.8 p -107.49 21.75 17.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 1.0 110.354 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -117.93 -52.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 1.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -108.61 -24.28 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 108.297 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.84 18.14 45.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 1.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.895 ' CZ ' ' HG3' ' A' ' 27' ' ' PRO . 18.8 t80 -49.89 160.53 0.31 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.98 -0.61 . . . . 1.0 109.82 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -121.92 132.87 54.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 1.3 t80 -118.59 150.28 39.94 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.876 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.592 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 1.4 t70 -117.68 142.86 31.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 1.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -81.14 70.33 7.53 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 124.311 3.34 . . . . 1.0 109.566 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.91 69.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -138.07 168.06 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.52 56.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 1.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.27 94.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -128.11 81.17 70.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.23 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -65.34 177.21 2.74 Favored 'Trans proline' 0 N--CA 1.446 -1.318 0 C-N-CA 124.383 3.389 . . . . 1.0 109.615 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -103.54 42.02 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.65 50.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -90.43 138.44 31.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 1.0 108.009 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -127.65 136.54 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -42.75 136.83 2.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.378 1.049 . . . . 1.0 108.246 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.895 ' HG3' ' CZ ' ' A' ' 11' ' ' TYR . 98.5 Cg_endo -69.38 -5.26 15.53 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.314 3.343 . . . . 1.0 109.587 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t -112.97 -93.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 109.324 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 23.9 p -44.34 -51.46 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 1.0 108.311 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.862 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 107.43 -11.55 39.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.106 . . . . 1.0 110.972 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -51.81 164.49 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 0.757 . . . . 1.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.7 p -74.38 175.44 7.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 1.0 109.953 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 48.81 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 1.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -113.32 -33.65 5.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 1.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.77 42.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 1.0 109.236 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -120.77 138.96 53.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -163.89 153.1 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 1.0 110.355 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -50.68 135.45 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 1.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 1.0 110.273 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.612 0.244 . . . . 1.0 111.06 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 176.63 69.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 1.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.526 ' CG2' HG23 ' A' ' 5' ' ' VAL . 1.2 mp -154.78 142.16 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 1.0 109.333 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -128.13 90.54 3.1 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.859 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 11' ' ' TYR . 57.7 t -102.64 120.6 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.58 157.17 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 1.0 108.312 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 5.9 p -114.59 2.71 14.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 1.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.1 t -96.16 -51.07 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 1.0 109.294 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.36 -22.91 12.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 1.0 108.277 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.37 19.11 46.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 1.0 111.065 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.76 ' O ' HG13 ' A' ' 5' ' ' VAL . 15.6 t80 -50.68 158.35 0.66 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.985 -0.607 . . . . 1.0 109.864 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.621 ' HG2' HG22 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -124.9 130.5 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 60.1 t80 -117.15 153.38 32.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.912 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -131.34 90.55 37.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 1.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.628 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 13.3 Cg_exo -35.08 116.61 0.11 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.3 3.333 . . . . 1.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 167.24 69.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 1.0 109.24 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.95 -162.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -134.39 -50.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 1.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.96 94.34 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.07 . . . . 1.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.05 80.7 71.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 1.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.4 -176.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.336 3.357 . . . . 1.0 109.625 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -106.42 54.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.7 61.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 1.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 2.4 t90 -92.84 139.95 30.01 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.958 -1.127 . . . . 1.0 107.958 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.8 135.9 53.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 1.0 109.229 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 3.2 t -54.98 132.9 67.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 108.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 95.9 Cg_endo -71.09 -2.08 10.56 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.314 3.343 . . . . 1.0 109.629 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.55 -91.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 1.0 109.291 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.7 p -49.75 -49.34 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 108.317 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.81 -11.08 38.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 1.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.85 165.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 1.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.428 ' OG ' ' CG ' ' A' ' 34' ' ' ASP . 5.1 p -73.04 178.18 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 110.003 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -15.67 62.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 1.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 24.5 p30 -71.8 -15.1 62.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 1.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -76.01 -8.86 57.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 1.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -97.75 142.62 29.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.409 1.068 . . . . 1.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -115.7 116.36 27.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 1.0 110.424 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.85 127.38 29.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 1.0 109.241 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 1.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.475 0.179 . . . . 1.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 2.3 m-20 -50.9 109.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.162 . . . . 1.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.667 HG22 HG23 ' A' ' 5' ' ' VAL . 44.9 mt -136.19 138.96 46.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 1.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 38' ' ' LYS . 49.3 m-85 -120.06 87.42 2.74 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.816 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.667 HG23 HG22 ' A' ' 3' ' ' ILE . 24.9 t -95.93 128.76 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 1.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 t -67.29 148.21 51.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.5 p -107.67 19.08 20.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 1.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -113.56 -51.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 p -108.36 -25.23 11.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 1.0 108.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.88 22.58 35.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.556 1.16 . . . . 1.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.635 ' O ' HG13 ' A' ' 5' ' ' VAL . 50.1 t80 -60.97 166.2 3.64 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.006 -0.597 . . . . 1.0 109.826 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -129.0 133.69 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.237 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 62.8 t80 -114.08 167.52 10.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.865 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.418 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 4.6 t0 -140.16 92.59 9.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HG2' ' O ' ' A' ' 2' ' ' ASP . 12.0 Cg_exo -34.63 99.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.291 3.327 . . . . 1.0 109.645 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 178.11 70.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.345 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.81 173.77 11.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 1.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -35.49 77.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 1.0 110.346 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.88 -175.94 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.83 83.85 9.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 1.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.9 175.91 0.11 Allowed 'Trans proline' 0 N--CA 1.449 -1.128 0 C-N-CA 124.287 3.325 . . . . 1.0 109.573 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.63 58.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 1.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 176.88 60.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -102.23 134.89 44.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 108.004 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 31' ' ' ALA . . . -120.03 138.76 53.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 1.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -54.23 134.34 60.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 1.0 108.348 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 70.9 Cg_endo -72.72 -1.11 9.87 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.343 3.362 . . . . 1.0 109.643 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.4 t -114.1 -93.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 1.0 109.313 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.0 p -44.56 -44.21 8.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 1.0 108.297 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 87.61 33.71 11.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 1.0 111.05 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -95.69 161.88 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 1.0 109.392 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' LYS . 6.8 p -70.39 153.41 43.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 1.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ALA . 2.4 tmtt? -39.49 -47.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 1.0 109.392 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.719 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.3 p30 -48.76 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 34' ' ' ASP . . . 161.29 -27.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -77.18 138.72 39.63 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.43 1.081 . . . . 1.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -116.09 143.76 45.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 1.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -86.56 91.12 8.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 1.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 110.296 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.521 0.2 . . . . 1.0 111.016 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.494 ' O ' HD12 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -144.21 109.36 5.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 1.0 109.306 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.648 HG22 HG23 ' A' ' 5' ' ' VAL . 1.2 mp -156.72 140.9 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.456 ' CD2' ' HG3' ' A' ' 15' ' ' PRO . 35.3 m-85 -115.04 89.94 3.22 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.853 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.648 HG23 HG22 ' A' ' 3' ' ' ILE . 90.0 t -96.38 118.55 42.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.1 t -58.49 150.44 22.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.0 p -109.71 17.47 21.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 1.0 110.439 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -112.45 -52.61 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.33 -21.82 12.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 1.0 108.332 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.39 21.54 40.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.442 1.089 . . . . 1.0 110.954 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 19.5 t80 -54.1 152.56 5.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.978 -0.611 . . . . 1.0 109.82 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.55 ' HG3' HG22 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -120.44 125.5 48.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -116.88 167.63 10.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.799 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -139.54 90.98 11.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 1.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.664 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 26.9 Cg_exo -36.41 114.31 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 1.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 164.37 71.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.08 166.77 25.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 1.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.74 -174.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -41.55 111.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 1.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.6 HD23 ' HD2' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -72.77 147.24 88.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 1.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HD2' HD23 ' A' ' 20' ' ' LEU . 87.1 Cg_endo -80.7 176.61 8.89 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.243 3.295 . . . . 1.0 109.588 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -110.53 58.89 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 1.0 109.302 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 164.42 74.26 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.481 1.113 . . . . 1.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -103.62 133.62 48.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 108.006 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.57 139.87 52.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 1.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.9 t -53.84 132.56 57.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 108.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.17 -2.92 11.9 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.341 3.361 . . . . 1.0 109.584 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.9 t -108.51 -92.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.5 p -48.57 -50.89 30.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 1.0 108.293 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.99 -10.77 37.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 1.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.14 163.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 1.0 109.28 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.0 p -75.96 170.8 15.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 1.0 110.065 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -82.15 52.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 1.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -115.89 -37.89 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.85 -18.5 60.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -64.97 133.58 52.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 1.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -140.09 140.39 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 110.29 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -65.23 140.32 58.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 1.0 109.373 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 1.0 110.3 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.521 0.201 . . . . 1.0 111.052 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -159.99 92.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 109.249 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.645 HG22 HG23 ' A' ' 5' ' ' VAL . 2.8 mp -138.36 143.0 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 1.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 15' ' ' PRO . 39.3 m-85 -115.78 97.7 6.27 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.029 -0.987 . . . . 1.0 109.824 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.645 HG23 HG22 ' A' ' 3' ' ' ILE . 39.4 t -108.3 114.31 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.728 ' SG ' HG12 ' A' ' 8' ' ' VAL . 3.5 t -60.0 153.65 20.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 1.0 108.29 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.1 p -109.44 10.73 25.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 1.0 110.387 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.728 HG12 ' SG ' ' A' ' 6' ' ' CYS . 3.4 p -117.25 7.05 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 1.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 6' ' ' CYS . 6.5 p -164.69 -42.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 1.0 108.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 102.58 9.6 40.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.414 1.071 . . . . 1.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 27' ' ' PRO . 18.0 t80 -39.13 156.48 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.034 -0.583 . . . . 1.0 109.84 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.78 118.09 21.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 1.0 110.35 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -119.14 160.36 22.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.967 -1.015 . . . . 1.0 109.811 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -123.98 96.81 41.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 1.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HG3' ' CD2' ' A' ' 4' ' ' TYR . 25.7 Cg_exo -35.8 110.63 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 124.271 3.314 . . . . 1.0 109.633 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . -179.61 48.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 1.0 109.297 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.45 -160.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 1.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -145.62 -62.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 1.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -45.95 -69.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.449 1.093 . . . . 1.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER 39.0 85.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 1.0 109.297 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.03 167.2 23.87 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 124.297 3.331 . . . . 1.0 109.611 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.15 52.86 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 1.0 109.318 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t0 173.91 56.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -87.41 140.36 29.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 108.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 31' ' ' ALA . . . -124.44 139.75 53.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.47 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -46.99 140.85 6.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 1.0 108.303 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 41.6 Cg_endo -81.67 13.07 2.55 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.362 3.375 . . . . 1.0 109.517 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 t -131.73 -73.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 1.0 109.341 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 29.0 p -64.48 -40.66 96.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.604 1.19 . . . . 1.0 108.292 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.07 33.63 25.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 1.0 111.012 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -95.24 152.91 17.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 1.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.409 ' HG ' ' CG ' ' A' ' 34' ' ' ASP . 23.8 p -61.32 145.29 51.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 110.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' ALA . 11.3 ttmm -40.16 -45.82 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.705 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.9 p30 -50.15 92.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 1.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 34' ' ' ASP . . . 161.61 -28.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 1.0 109.23 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.27 140.86 52.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 1.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -129.05 122.77 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -62.03 114.9 3.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 1.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 1.0 110.238 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 3.7 mtt . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.566 0.222 . . . . 1.0 111.088 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.41 94.44 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 1.0 109.239 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.8 HG22 HG23 ' A' ' 5' ' ' VAL . 8.1 mt -136.04 132.85 50.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.546 ' CD1' ' HG2' ' A' ' 15' ' ' PRO . 2.5 m-85 -116.8 83.33 1.95 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.82 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.8 HG23 HG22 ' A' ' 3' ' ' ILE . 44.0 t -92.66 119.9 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.18 149.9 31.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 1.0 108.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 p -109.43 14.91 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 1.0 110.371 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.6 t -109.77 -51.67 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -108.55 -22.01 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 1.0 108.216 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.35 9.32 60.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 1.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.469 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.4 t80 -40.82 155.87 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.986 -0.607 . . . . 1.0 109.855 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.3 132.45 52.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 1.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -145.34 164.14 32.38 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.056 -0.975 . . . . 1.0 109.84 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -137.95 90.08 14.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.546 ' HG2' ' CD1' ' A' ' 4' ' ' TYR . 12.1 Cg_exo -34.67 97.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 1.0 109.596 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.76 70.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 1.0 109.341 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.25 178.49 6.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.14 -72.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 1.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -136.87 158.46 44.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.566 1.166 . . . . 1.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.552 HD23 ' HD2' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -118.05 142.37 30.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.552 ' HD2' HD23 ' A' ' 20' ' ' LEU . 32.3 Cg_endo -85.42 174.0 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.314 3.343 . . . . 1.0 109.616 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.11 43.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 109.34 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 176.29 55.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 1.078 . . . . 1.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -81.73 136.09 35.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 1.0 108.076 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.08 138.87 52.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 4.3 t -53.11 132.43 50.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 1.0 108.289 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.63 -1.86 10.47 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.35 3.367 . . . . 1.0 109.622 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.22 -92.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.069 . . . . 1.0 109.269 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.1 p -49.64 -49.61 46.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 108.285 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.42 -9.95 38.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 1.0 111.042 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.09 163.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.61 0.829 . . . . 1.0 109.34 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -78.15 172.72 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 1.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -82.12 52.17 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -115.42 -39.41 3.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 1.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.64 -18.52 60.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 1.0 109.374 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -64.86 133.79 52.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 1.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -142.0 138.61 31.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 1' ' ' MET . 33.8 tttt -64.26 128.11 34.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.544 0.212 . . . . 1.0 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 0.5 OUTLIER 67.6 -165.58 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 1.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.762 ' CG2' HG23 ' A' ' 5' ' ' VAL . 1.2 mp -147.21 146.6 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 1.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -119.81 76.68 1.17 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.012 -0.995 . . . . 1.0 109.868 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.938 HG22 ' HG2' ' A' ' 12' ' ' GLU . 73.2 t -83.99 115.51 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 1.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 t -48.57 150.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.3 p -108.79 19.23 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 1.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 t -115.43 -53.34 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.4 p -108.91 -22.01 12.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 1.0 108.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.62 10.24 58.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 1.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.673 ' CZ ' ' HG3' ' A' ' 27' ' ' PRO . 14.4 t80 -40.25 158.64 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 118.868 -0.586 . . . . 1.0 109.853 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.938 ' HG2' HG22 ' A' ' 5' ' ' VAL . 2.3 mt-10 -126.26 125.56 42.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 1.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -102.1 160.67 14.31 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.816 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' ALA . 9.2 t70 -134.21 86.87 35.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.7 Cg_exo -34.05 93.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.338 3.359 . . . . 1.0 109.548 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 177.77 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.24 -174.57 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -146.53 56.86 1.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 1.0 110.247 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' LEU . 9.8 t0 178.14 -67.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 109.237 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER 38.36 81.05 0.25 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 1.0 109.292 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.12 176.54 0.99 Allowed 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 124.276 3.317 . . . . 1.0 109.564 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.45 39.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.282 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -171.53 51.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.7 t90 -79.98 142.85 34.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 1.0 107.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.35 138.09 52.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 1.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.485 ' SG ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 t -53.04 133.04 49.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 108.242 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.673 ' HG3' ' CZ ' ' A' ' 11' ' ' TYR . 77.3 Cg_endo -70.45 -3.04 11.66 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.315 3.344 . . . . 1.0 109.595 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.12 -92.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 1.0 109.287 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.4 p -48.64 -51.83 26.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 1.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 109.54 -11.77 33.01 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 1.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.44 161.81 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 1.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 p -74.3 170.01 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -80.92 53.25 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -112.9 -51.12 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.31 -21.68 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 1.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 32.9 m-85 -61.11 133.98 56.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.69 146.15 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -78.74 97.78 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 1.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.45 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 2.0 p-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.565 ' CG2' HG23 ' A' ' 5' ' ' VAL . 30.3 mm -148.98 143.0 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -125.93 78.81 1.78 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.025 -0.988 . . . . 1.0 109.806 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 11' ' ' TYR . 54.7 t -90.75 118.58 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.52 ' SG ' ' CE1' ' A' ' 36' ' ' PHE . 8.9 t -50.86 146.61 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 1.0 108.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.6 p -106.6 20.57 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.2 t -115.33 -51.87 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.48 -21.48 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 1.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.44 23.49 33.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.783 ' O ' HG13 ' A' ' 5' ' ' VAL . 7.3 t80 -54.13 162.58 0.98 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.02 -0.59 . . . . 1.0 109.814 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HA ' HG22 ' A' ' 5' ' ' VAL . 1.7 tt0 -124.93 127.12 46.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 1.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.49 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 36.4 t80 -141.08 150.16 42.56 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.815 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.49 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -118.41 139.93 27.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.45 ' CD ' ' O ' ' A' ' 2' ' ' ASP . 64.8 Cg_endo -79.78 70.42 7.52 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.302 3.335 . . . . 1.0 109.647 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.64 38.61 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 1.0 109.27 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 19.4 p90 -102.91 -171.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -135.37 -45.34 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 7.9 t0 -105.82 95.6 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -115.89 86.89 17.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 1.0 109.251 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 20' ' ' LEU . 71.4 Cg_exo -47.23 174.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.3 3.334 . . . . 1.0 109.563 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.97 57.45 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 1.0 109.273 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t0 173.54 71.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 1.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -108.17 130.71 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 108.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.36 139.45 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.411 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 2.0 t -50.12 135.29 22.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 108.319 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 89.2 Cg_endo -83.26 19.56 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.309 3.34 . . . . 1.0 109.598 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.48 -73.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 109.304 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -70.63 -32.65 70.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 108.32 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.29 -12.77 67.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 1.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.09 160.21 2.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 1.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.8 p -68.36 165.05 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 46.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -108.25 -31.8 7.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 1.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.85 -2.73 41.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CE1' ' SG ' ' A' ' 6' ' ' CYS . 6.7 m-85 -79.62 134.95 36.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 1.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LYS . 2.8 tt0 -165.46 150.99 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 1.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' GLU . 4.1 ttpt -40.05 139.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 1.0 110.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.686 HG22 HG23 ' A' ' 5' ' ' VAL . 15.8 mm -141.85 140.86 30.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 1.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -120.2 83.77 2.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.954 -1.021 . . . . 1.0 109.843 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.852 HG22 ' HG2' ' A' ' 12' ' ' GLU . 61.1 t -88.43 119.15 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 1.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.6 t -48.71 148.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 1.0 108.262 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -107.4 17.03 23.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 t -112.22 -52.1 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 1.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.4 p -107.84 -25.05 11.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.619 1.199 . . . . 1.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.75 15.24 46.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.123 . . . . 1.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.838 ' O ' HG13 ' A' ' 5' ' ' VAL . 19.3 t80 -51.66 166.35 0.14 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.023 -0.589 . . . . 1.0 109.884 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.852 ' HG2' HG22 ' A' ' 5' ' ' VAL . 7.6 mt-10 -128.75 124.3 35.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 1.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.425 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 62.5 t80 -104.47 164.77 11.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.796 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 t70 -134.88 97.59 13.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.689 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 11.3 Cg_exo -34.48 131.98 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.321 3.348 . . . . 1.0 109.601 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 15' ' ' PRO . . . 83.05 73.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 1.0 109.394 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -93.28 -64.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 1.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -178.99 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 1.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LEU . 2.8 m-20 -96.21 -49.9 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 1.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 38.4 83.42 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 1.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -81.67 178.42 6.59 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.38 3.387 . . . . 1.0 109.578 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.73 35.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 1.0 109.31 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -162.59 43.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 1.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -80.17 140.05 36.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 108.0 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.77 140.06 53.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.514 ' CB ' ' HG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -42.34 139.0 1.95 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 1.0 108.351 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.546 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -84.67 15.53 2.17 Favored 'Trans proline' 0 N--CA 1.446 -1.3 0 C-N-CA 124.292 3.328 . . . . 1.0 109.632 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.6 t -139.6 -73.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 109.325 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.514 ' HG ' ' CB ' ' A' ' 26' ' ' CYS . 18.8 p -63.9 -21.91 66.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 1.0 108.311 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.46 35.45 91.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 1.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . . . -103.07 159.93 15.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 p -60.57 153.76 22.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 1.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.2 49.42 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.388 1.055 . . . . 1.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -114.92 -41.42 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 1.0 109.237 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.84 -13.04 41.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 1.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.43 133.42 49.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 1.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 2.5 tp10 -156.21 145.14 20.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -39.91 139.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.302 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.623 HG22 HG23 ' A' ' 5' ' ' VAL . 68.7 mt -145.33 133.97 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 1.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -112.69 92.07 3.88 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.824 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.623 HG23 HG22 ' A' ' 3' ' ' ILE . 40.0 t -95.94 114.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 1.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.2 t -50.62 152.13 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 108.271 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.463 ' OG1' ' HB1' ' A' ' 35' ' ' ALA . 45.7 p -109.81 18.19 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 110.424 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.6 t -115.11 -52.87 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 1.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.2 p -108.57 -20.86 12.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 108.348 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 91.37 11.84 60.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 1.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.491 ' CE2' ' CG ' ' A' ' 27' ' ' PRO . 11.8 t80 -39.93 157.28 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.998 -0.601 . . . . 1.0 109.808 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.66 119.26 25.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 1.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -105.51 157.58 17.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.847 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' PRO . 19.9 t0 -135.12 88.64 25.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 1.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.547 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.6 Cg_exo -34.53 107.14 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.282 3.321 . . . . 1.0 109.616 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 173.19 68.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 1.0 109.266 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -154.13 -171.58 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -144.81 62.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 1.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.43 94.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 1.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tt -143.39 82.84 11.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.71 -175.61 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.315 3.344 . . . . 1.0 109.641 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.18 55.78 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 178.24 62.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 1.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -97.5 139.35 33.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 1.0 108.029 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.77 138.84 53.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 1.0 109.234 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.0 t -52.74 133.07 46.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 1.0 108.286 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.491 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 93.2 Cg_endo -72.45 -2.03 11.12 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.312 3.341 . . . . 1.0 109.603 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.8 t -109.11 -91.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 109.331 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.0 p -49.89 -49.84 48.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 108.28 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.46 -11.72 39.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 1.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.41 164.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 1.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 p -68.5 170.33 9.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 1.0 109.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -90.24 40.69 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 1.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -96.15 -50.62 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 1.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.463 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -61.29 -15.09 31.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 10.6 m-85 -64.55 135.21 55.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 1.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.94 154.08 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 1.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -94.56 105.32 17.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 1.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 110.294 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.454 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.454 HD13 ' O ' ' A' ' 2' ' ' ASP . 33.0 mm -144.96 140.0 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -131.18 105.5 7.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.069 -0.969 . . . . 1.0 109.85 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.893 HG13 ' O ' ' A' ' 11' ' ' TYR . 69.9 t -108.77 128.22 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.44 ' SG ' ' CE1' ' A' ' 36' ' ' PHE . 6.2 t -57.76 141.23 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 35' ' ' ALA . 71.3 p -103.56 20.25 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 1.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.4 t -114.95 -51.57 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 1.0 109.362 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 p -108.17 -22.04 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 108.267 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.94 5.53 59.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 1.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.893 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.3 t80 -41.89 161.29 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.024 -0.588 . . . . 1.0 109.802 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.461 ' CG ' HG22 ' A' ' 5' ' ' VAL . 3.4 mt-10 -126.49 136.41 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 1.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.456 ' CE1' ' CH2' ' A' ' 24' ' ' TRP . 42.5 t80 -116.19 154.25 30.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.03 -0.986 . . . . 1.0 109.848 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -136.13 88.03 22.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.675 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 33.0 Cg_exo -36.29 127.11 0.4 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 124.307 3.338 . . . . 1.0 109.544 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 163.1 -29.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 1.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -54.41 -174.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 1.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -127.61 -57.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 1.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.95 95.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 1.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.47 81.98 66.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.18 172.76 12.48 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.308 3.339 . . . . 1.0 109.683 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -94.24 53.22 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 1.0 109.293 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -179.57 56.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CH2' ' CE1' ' A' ' 13' ' ' TYR . 2.0 t90 -97.41 136.11 38.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 1.0 108.022 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.998 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -128.31 139.86 52.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 1.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' GLY . 5.5 t -48.65 107.38 0.75 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 1.0 108.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.22 -18.97 1.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.291 3.327 . . . . 1.0 109.594 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -85.02 -90.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 109.351 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.9 p -59.32 -46.9 87.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 1.0 108.34 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.998 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 114.04 -16.38 20.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 1.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.17 160.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 1.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.404 ' OG ' ' OD1' ' A' ' 34' ' ' ASP . 92.4 p -69.08 173.55 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 1.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.59 15.0 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 26.7 p-10 -86.3 -22.68 26.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.446 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -82.27 -6.86 59.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 109.313 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CE1' ' SG ' ' A' ' 6' ' ' CYS . 5.0 m-85 -83.17 137.84 33.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 1.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -153.66 153.02 31.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 1.0 110.248 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -44.37 141.12 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 109.293 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 1.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.6 t0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.7 mt -149.72 142.39 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 1.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -126.75 102.89 7.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.758 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 11' ' ' TYR . 33.6 t -109.42 130.06 63.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 1.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -65.1 147.4 53.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 1.0 108.343 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 p -107.27 16.02 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 1.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.79 -50.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 p -108.0 -25.03 11.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 1.0 108.274 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.91 15.23 53.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.416 1.073 . . . . 1.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.825 ' O ' HG13 ' A' ' 5' ' ' VAL . 26.2 t80 -53.06 160.25 1.04 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.044 -0.578 . . . . 1.0 109.825 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.747 ' HG2' HG22 ' A' ' 5' ' ' VAL . 5.5 mt-10 -126.06 131.97 52.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 110.236 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -112.67 159.47 18.87 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.955 -1.02 . . . . 1.0 109.836 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.07 90.6 25.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.064 . . . . 1.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -36.11 94.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.289 3.326 . . . . 1.0 109.606 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' CD1' ' A' ' 17' ' ' PHE . . . -177.25 70.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.309 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 13.5 m-85 -149.69 -171.03 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -138.52 55.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.94 93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 1.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tt -136.03 83.32 34.17 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -83.64 177.29 6.38 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 124.29 3.327 . . . . 1.0 109.626 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -93.62 55.84 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 1.0 109.266 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -178.25 60.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.6 t90 -100.83 139.1 37.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 107.999 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 31' ' ' ALA . . . -125.14 137.58 54.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 1.0 109.237 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 1.3 t -53.19 133.87 50.92 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 1.0 108.265 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 71.2 Cg_endo -72.89 -0.57 9.18 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.241 3.294 . . . . 1.0 109.604 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.4 t -113.8 -92.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 1.0 109.337 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 27.5 p -45.59 -44.14 12.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 1.0 108.297 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 88.16 33.2 10.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 1.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -94.28 162.8 13.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 1.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.437 ' HG ' ' CG ' ' A' ' 34' ' ' ASP . 77.5 p -69.58 152.27 44.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 1.0 109.922 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ALA . 13.3 tmtt? -40.13 -51.09 2.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.7 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -46.37 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 34' ' ' ASP . . . 161.7 -28.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 1.0 109.267 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -76.39 140.82 41.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 1.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.77 148.18 33.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 110.258 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -52.63 139.67 25.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 1.0 109.221 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.467 ' OE1' HG21 ' A' ' 5' ' ' VAL . 1.8 tt0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 1.0 110.281 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.805 ' CG2' HG23 ' A' ' 5' ' ' VAL . 12.4 mt -140.07 142.35 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 71.17 0.75 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.977 -1.01 . . . . 1.0 109.844 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.805 HG23 ' CG2' ' A' ' 3' ' ' ILE . 75.0 t -76.42 117.32 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 1.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.4 t -55.05 152.94 7.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 108.291 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -110.96 14.7 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.61 -53.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 1.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.08 -19.4 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.362 1.039 . . . . 1.0 108.314 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.22 10.92 60.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 1.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 13.0 t80 -39.67 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 118.871 -0.585 . . . . 1.0 109.841 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.591 ' HG2' HG22 ' A' ' 5' ' ' VAL . 8.4 mt-10 -127.13 111.45 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' CE1' ' A' ' 17' ' ' PHE . 74.6 t80 -101.49 158.95 15.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.826 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.63 91.84 24.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.683 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 10.9 Cg_exo -34.6 103.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.348 3.365 . . . . 1.0 109.582 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 163.66 69.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.276 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CE1' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m-85 -137.19 -172.15 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 1.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 2.0 tt0 -133.24 123.92 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 1.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER 80.83 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 1.0 109.239 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -119.94 82.55 28.62 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.082 . . . . 1.0 109.29 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -47.58 168.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.396 3.398 . . . . 1.0 109.576 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.77 37.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.85 60.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -88.79 139.77 30.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.54 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 42.8 t -48.57 133.66 13.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 1.0 108.345 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 73.6 Cg_endo -72.77 -0.88 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.33 3.353 . . . . 1.0 109.599 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.21 -93.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 109.335 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.4 p -46.4 -45.18 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.0 108.267 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.14 -6.29 53.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.457 1.098 . . . . 1.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 163.93 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 1.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.6 p -75.86 173.82 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.82 50.11 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 1.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -112.86 -52.44 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.34 63.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -62.45 133.83 55.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 1.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -120.77 147.66 45.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 1.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 98.34 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 1.0 110.3 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.805 ' CG2' HG23 ' A' ' 5' ' ' VAL . 12.4 mt -140.07 142.35 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 71.17 0.75 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.977 -1.01 . . . . 1.0 109.844 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.805 HG23 ' CG2' ' A' ' 3' ' ' ILE . 75.0 t -76.42 117.32 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 1.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.4 t -55.05 152.94 7.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 108.291 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -110.96 14.7 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.61 -53.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 1.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.08 -19.4 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.362 1.039 . . . . 1.0 108.314 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.22 10.92 60.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 1.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 13.0 t80 -39.67 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 118.871 -0.585 . . . . 1.0 109.841 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.591 ' HG2' HG22 ' A' ' 5' ' ' VAL . 8.4 mt-10 -127.13 111.45 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' CE1' ' A' ' 17' ' ' PHE . 74.6 t80 -101.49 158.95 15.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.826 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.63 91.84 24.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.683 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 10.9 Cg_exo -34.6 103.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.348 3.365 . . . . 1.0 109.582 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 163.66 69.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.276 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CE1' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m-85 -137.19 -172.15 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 1.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 2.0 tt0 -133.24 123.92 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 1.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER 80.83 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 1.0 109.239 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -119.94 82.55 28.62 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.082 . . . . 1.0 109.29 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -47.58 168.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.396 3.398 . . . . 1.0 109.576 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.77 37.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.85 60.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -88.79 139.77 30.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.54 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 42.8 t -48.57 133.66 13.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 1.0 108.345 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 73.6 Cg_endo -72.77 -0.88 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.33 3.353 . . . . 1.0 109.599 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.21 -93.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 109.335 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.4 p -46.4 -45.18 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.0 108.267 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.14 -6.29 53.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.457 1.098 . . . . 1.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 163.93 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 1.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.6 p -75.86 173.82 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.82 50.11 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 1.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -112.86 -52.44 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.34 63.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -62.45 133.83 55.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 1.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -120.77 147.66 45.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 1.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 98.34 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 1.0 110.3 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.413 ' CG ' ' HB3' ' A' ' 15' ' ' PRO . 5.3 p-10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.458 ' CG2' HG23 ' A' ' 5' ' ' VAL . 76.8 mt -146.82 143.81 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 109.234 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -126.44 85.07 2.34 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.8 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.458 HG23 ' CG2' ' A' ' 3' ' ' ILE . 45.2 t -95.86 119.55 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.612 1.195 . . . . 1.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 t -54.46 149.62 10.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 1.0 108.301 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.1 p -109.65 17.98 20.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 1.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -113.85 -51.39 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 109.235 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 p -108.86 -19.99 13.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 1.0 108.299 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.05 19.99 51.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 1.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.411 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.2 t80 -52.46 154.5 2.51 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.015 -0.593 . . . . 1.0 109.858 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.21 131.88 56.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.049 . . . . 1.0 110.362 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 85.6 t80 -118.46 166.87 12.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.056 -0.974 . . . . 1.0 109.841 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 2.8 t70 -140.79 139.72 20.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.625 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 95.3 Cg_endo -72.25 94.42 0.74 Allowed 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 124.31 3.34 . . . . 1.0 109.574 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 168.51 70.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 1.0 109.272 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -138.56 166.65 23.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 1.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -73.95 69.48 1.43 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.153 . . . . 1.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.73 168.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 1.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 20' ' ' LEU . 1.2 tp -111.64 140.83 23.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -82.41 174.85 9.5 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.255 3.303 . . . . 1.0 109.595 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -100.86 49.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 1.0 109.275 -179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 5.2 m-20 162.12 74.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -103.9 133.11 49.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 1.0 108.013 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.83 139.65 53.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 1.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.8 t -53.32 132.65 52.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 1.0 108.378 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -72.15 -1.97 10.89 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.263 3.309 . . . . 1.0 109.608 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.1 t -108.88 -91.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 1.0 109.272 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.6 p -50.29 -50.38 50.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 108.279 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 108.25 -11.43 36.83 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 1.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.69 163.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 1.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.2 p -73.42 172.11 11.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 1.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -85.48 48.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 1.0 109.253 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -106.11 -47.69 3.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 1.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 34' ' ' ASP . . . -66.61 -16.6 64.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 1.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.507 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 20.8 m-85 -64.25 132.67 50.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 1.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -109.85 149.36 29.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 1.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.91 86.6 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 1.0 109.232 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 1.0 110.272 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.569 ' CB ' ' HG3' ' A' ' 15' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.628 HG22 HG23 ' A' ' 5' ' ' VAL . 14.3 mt -136.79 137.78 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 1.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -107.23 96.05 6.14 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.989 -1.005 . . . . 1.0 109.842 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.628 HG23 HG22 ' A' ' 3' ' ' ILE . 24.4 t -105.19 115.78 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.9 t -54.43 152.15 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 108.361 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -110.9 12.41 22.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 1.0 110.394 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.5 t -107.3 -53.76 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 1.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.8 -20.18 13.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 1.0 108.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 94.45 7.34 60.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.424 1.078 . . . . 1.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' GLY . 16.1 t80 -39.46 154.8 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.803 -0.617 . . . . 1.0 109.879 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HG3' HG13 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -127.55 124.38 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 1.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 56.0 t80 -125.77 161.9 26.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.947 -1.024 . . . . 1.0 109.825 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.598 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 2.5 t70 -128.75 140.98 40.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 1.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.661 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 91.7 Cg_endo -78.78 100.49 1.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.298 3.332 . . . . 1.0 109.584 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 165.3 68.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -148.12 -172.12 3.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 1.0 111.007 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.38 59.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 179.49 94.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.04 78.75 15.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 1.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.74 168.61 20.81 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.293 3.329 . . . . 1.0 109.591 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.27 37.28 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 109.237 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -160.83 48.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -95.78 142.43 28.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 107.975 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 1.005 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -130.91 135.22 47.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 1.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' GLY . 6.2 t -46.35 106.04 0.53 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 1.0 108.321 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -46.22 -20.43 0.86 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.296 3.331 . . . . 1.0 109.634 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 26' ' ' CYS . 96.5 t -83.63 -90.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 1.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.6 p -60.52 -47.7 85.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 108.311 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 1.005 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 114.41 -15.63 20.03 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 1.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.32 158.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 0.791 . . . . 1.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -72.9 167.81 20.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.12 48.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 1.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -117.47 -46.0 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 1.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.74 -21.69 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 1.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -61.84 133.52 55.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 1.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -108.7 140.74 41.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 1.0 110.327 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.98 86.52 4.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 110.329 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.708 HG22 HG23 ' A' ' 5' ' ' VAL . 3.2 mt -135.32 134.68 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 1.0 109.331 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.744 ' CD1' ' HG2' ' A' ' 15' ' ' PRO . 2.8 m-85 -114.55 81.93 1.64 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.039 -0.982 . . . . 1.0 109.887 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.708 HG23 HG22 ' A' ' 3' ' ' ILE . 76.5 t -86.65 118.4 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 t -58.86 150.12 24.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 1.0 108.316 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.4 p -109.39 16.99 21.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.8 t -112.18 -53.74 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.79 -20.06 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 108.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.67 9.61 59.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 1.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -39.43 148.58 0.06 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.029 -0.586 . . . . 1.0 109.888 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.505 ' CD ' HG22 ' A' ' 5' ' ' VAL . 1.6 mm-40 -120.16 114.77 22.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.456 1.097 . . . . 1.0 110.328 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -125.8 161.12 28.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.845 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.85 90.08 28.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 109.235 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.744 ' HG2' ' CD1' ' A' ' 4' ' ' TYR . 11.9 Cg_exo -34.59 109.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.313 3.342 . . . . 1.0 109.608 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 172.81 69.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 109.347 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -141.21 -166.89 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 1.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -119.03 -53.98 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.073 . . . . 1.0 110.355 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.17 99.93 8.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.223 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 tt -135.17 82.82 40.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.22 171.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.37 3.38 . . . . 1.0 109.567 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.57 38.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 1.0 109.216 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.0 50.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.6 137.59 57.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 108.038 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.75 137.37 51.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 44.1 t -50.41 133.59 25.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 108.334 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 77.2 Cg_endo -72.56 -0.67 9.15 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.284 3.323 . . . . 1.0 109.645 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -114.02 -93.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 1.0 109.301 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.8 p -47.37 -45.47 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 1.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.78 -6.16 51.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 1.0 111.066 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.64 164.23 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 0.766 . . . . 1.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.6 p -81.03 176.91 9.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 1.0 110.037 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 50.3 1.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 1.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -115.46 -43.19 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 1.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.81 -25.29 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 1.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -64.4 133.66 53.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -143.76 132.22 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 1.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 137.23 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 1.0 110.241 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.663 ' CG2' HG23 ' A' ' 5' ' ' VAL . 2.3 mt -140.87 146.76 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -120.74 80.98 1.7 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.889 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.875 HG22 ' HG2' ' A' ' 12' ' ' GLU . 54.1 t -87.37 115.02 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.2 t -48.06 151.73 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 1.0 108.263 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.3 p -110.21 16.75 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 110.387 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 t -112.8 -53.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 1.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 p -108.77 -20.55 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.382 1.051 . . . . 1.0 108.314 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 92.89 10.28 60.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.135 . . . . 1.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLY . 12.7 t80 -39.97 157.32 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.984 -0.608 . . . . 1.0 109.865 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.875 ' HG2' HG22 ' A' ' 5' ' ' VAL . 5.6 mt-10 -124.12 126.49 46.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.582 ' OH ' ' CD1' ' A' ' 17' ' ' PHE . 34.4 t80 -108.03 154.97 20.89 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.845 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -133.64 84.88 43.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 1.0 109.316 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -34.94 105.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.278 3.319 . . . . 1.0 109.647 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.98 34.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.582 ' CD1' ' OH ' ' A' ' 13' ' ' TYR . 41.6 p90 -105.83 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 1.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -129.36 118.2 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 1.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 46.27 88.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 1.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.536 HD12 ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -90.71 145.88 33.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.536 ' HD2' HD12 ' A' ' 20' ' ' LEU . 35.9 Cg_endo -60.18 171.29 3.22 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.313 3.342 . . . . 1.0 109.558 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -104.57 56.19 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 1.0 109.313 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 172.79 70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 1.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 7.4 t90 -94.65 141.53 28.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 107.95 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.57 137.76 52.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 1.0 109.353 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 4.4 t -55.73 132.43 72.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 1.0 108.264 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -70.7 -2.15 10.39 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.309 3.339 . . . . 1.0 109.613 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.27 -92.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 109.316 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.8 p -49.75 -49.7 47.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 1.0 108.319 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 108.85 -10.88 34.82 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.454 1.096 . . . . 1.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.03 164.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 0.806 . . . . 1.0 109.26 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.8 p -86.19 176.03 8.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 109.979 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -76.64 55.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 1.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -115.44 -49.75 2.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.48 -24.99 63.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 1.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -60.41 133.13 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 1.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -126.82 151.68 47.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.61 105.1 15.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 1.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.238 -0.653 . . . . 1.0 109.238 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.515 HG22 HG23 ' A' ' 5' ' ' VAL . 14.7 mt -138.42 140.47 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 1.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -117.15 95.34 4.94 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.82 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.723 HG22 ' HG2' ' A' ' 12' ' ' GLU . 89.5 t -93.88 121.52 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.7 t -55.78 152.41 9.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 108.25 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -110.38 15.58 22.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 110.443 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.4 t -111.53 -53.11 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.362 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -109.93 -19.1 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 1.0 108.321 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.88 9.49 60.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.088 . . . . 1.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.433 ' O ' HG13 ' A' ' 5' ' ' VAL . 13.7 t80 -40.06 157.72 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.008 -0.596 . . . . 1.0 109.857 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.723 ' HG2' HG22 ' A' ' 5' ' ' VAL . 3.6 mt-10 -127.82 112.88 15.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.403 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 66.3 t80 -97.43 157.03 16.21 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.809 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' ALA . 9.6 t70 -134.18 90.81 24.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.546 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.4 Cg_exo -34.41 93.97 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.313 3.342 . . . . 1.0 109.588 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 172.8 68.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 109.336 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -136.69 -172.63 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 1.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 4.7 tt0 -128.66 123.47 33.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER 74.94 98.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 109.352 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tt -121.97 83.68 44.2 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.52 171.92 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.271 3.314 . . . . 1.0 109.62 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.14 42.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.12 49.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.403 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 6.4 t90 -85.14 141.92 29.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.995 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -131.32 134.96 46.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 1.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 30' ' ' GLY . 5.7 t -46.7 106.26 0.56 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 1.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -46.51 -20.03 0.86 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.224 3.283 . . . . 1.0 109.651 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' CYS . 96.9 t -84.14 -90.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 1.0 109.298 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.6 p -60.15 -46.9 88.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 108.346 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.995 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 113.21 -15.37 22.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 1.0 111.011 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -43.0 161.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 1.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 p -76.13 170.26 16.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 47.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 1.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -116.29 -41.63 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.37 -21.96 66.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -63.15 136.04 57.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 1.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.99 152.25 39.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 1.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -57.54 127.09 30.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 1.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.7 HG22 HG23 ' A' ' 5' ' ' VAL . 22.7 mt -138.81 140.09 39.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 1.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -115.88 87.64 2.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.862 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.729 HG22 ' HG2' ' A' ' 12' ' ' GLU . 98.4 t -92.09 123.2 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 109.215 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.2 t -58.64 154.17 14.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 108.303 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.3 p -111.43 13.66 21.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.16 -52.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.0 109.266 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -109.08 -19.19 13.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 1.0 108.335 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.58 12.13 61.38 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.421 1.076 . . . . 1.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.555 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.1 t80 -41.03 157.66 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.974 -0.613 . . . . 1.0 109.882 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.729 ' HG2' HG22 ' A' ' 5' ' ' VAL . 2.6 mt-10 -128.52 113.79 15.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 1.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -102.62 161.68 13.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.785 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -136.99 93.06 13.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 1.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -34.63 97.49 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.342 3.361 . . . . 1.0 109.598 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.53 67.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.57 -163.65 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.554 1.159 . . . . 1.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.02 -62.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 1.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.04 104.53 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -122.3 83.67 46.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 1.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.7 -176.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 124.378 3.385 . . . . 1.0 109.586 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -110.5 48.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 1.0 109.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -171.58 55.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 1.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -88.97 138.95 30.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 1.0 108.022 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -127.77 134.68 49.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 1.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' GLY . 4.7 t -47.5 106.97 0.65 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 1.0 108.222 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -47.57 -19.89 1.45 Allowed 'Trans proline' 0 N--CA 1.446 -1.297 0 C-N-CA 124.31 3.34 . . . . 1.0 109.618 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -83.66 -89.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 1.0 109.269 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 9.4 p -61.27 -48.69 80.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 1.0 108.219 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.965 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 116.48 -17.66 13.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 1.0 111.012 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.72 156.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 1.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 p -68.73 176.82 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.187 . . . . 1.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.526 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -90.5 38.29 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 1.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -101.34 -53.81 2.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 1.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.47 -22.49 32.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 26.1 m-85 -60.68 134.84 57.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 1.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.19 145.85 29.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 110.238 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -61.39 119.26 8.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.579 1.174 . . . . 1.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 1.0 110.302 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.534 HG22 HG23 ' A' ' 5' ' ' VAL . 97.1 mt -137.14 142.94 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 1.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.403 ' HD2' ' CD1' ' A' ' 13' ' ' TYR . 63.6 m-85 -124.81 87.42 2.71 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.79 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 11' ' ' TYR . 78.6 t -98.68 120.26 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 1.0 109.369 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.1 t -50.95 150.25 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 1.0 108.305 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.8 p -107.49 21.75 17.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 1.0 110.354 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -117.93 -52.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 1.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -108.61 -24.28 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 108.297 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.84 18.14 45.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 1.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.895 ' CZ ' ' HG3' ' A' ' 27' ' ' PRO . 18.8 t80 -49.89 160.53 0.31 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.98 -0.61 . . . . 1.0 109.82 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -121.92 132.87 54.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 1.3 t80 -118.59 150.28 39.94 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.876 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.592 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 1.4 t70 -117.68 142.86 31.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 1.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -81.14 70.33 7.53 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 124.311 3.34 . . . . 1.0 109.566 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.91 69.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -138.07 168.06 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.52 56.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 1.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.27 94.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -128.11 81.17 70.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.23 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -65.34 177.21 2.74 Favored 'Trans proline' 0 N--CA 1.446 -1.318 0 C-N-CA 124.383 3.389 . . . . 1.0 109.615 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -103.54 42.02 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.65 50.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -90.43 138.44 31.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 1.0 108.009 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -127.65 136.54 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -42.75 136.83 2.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.378 1.049 . . . . 1.0 108.246 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.895 ' HG3' ' CZ ' ' A' ' 11' ' ' TYR . 98.5 Cg_endo -69.38 -5.26 15.53 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.314 3.343 . . . . 1.0 109.587 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t -112.97 -93.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 109.324 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 23.9 p -44.34 -51.46 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 1.0 108.311 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.862 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 107.43 -11.55 39.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.106 . . . . 1.0 110.972 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -51.81 164.49 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 0.757 . . . . 1.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.7 p -74.38 175.44 7.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 1.0 109.953 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 48.81 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 1.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -113.32 -33.65 5.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 1.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.77 42.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 1.0 109.236 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -120.77 138.96 53.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -163.89 153.1 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 1.0 110.355 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -50.68 135.45 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 1.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 1.0 110.273 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.526 ' CG2' HG23 ' A' ' 5' ' ' VAL . 1.2 mp -154.78 142.16 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 1.0 109.333 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -128.13 90.54 3.1 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.859 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 11' ' ' TYR . 57.7 t -102.64 120.6 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.58 157.17 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 1.0 108.312 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 5.9 p -114.59 2.71 14.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 1.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.1 t -96.16 -51.07 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 1.0 109.294 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.36 -22.91 12.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 1.0 108.277 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.37 19.11 46.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 1.0 111.065 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.76 ' O ' HG13 ' A' ' 5' ' ' VAL . 15.6 t80 -50.68 158.35 0.66 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.985 -0.607 . . . . 1.0 109.864 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.621 ' HG2' HG22 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -124.9 130.5 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 60.1 t80 -117.15 153.38 32.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.912 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -131.34 90.55 37.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 1.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.628 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 13.3 Cg_exo -35.08 116.61 0.11 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.3 3.333 . . . . 1.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 167.24 69.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 1.0 109.24 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.95 -162.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -134.39 -50.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 1.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.96 94.34 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.07 . . . . 1.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.05 80.7 71.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 1.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.4 -176.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.336 3.357 . . . . 1.0 109.625 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -106.42 54.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.7 61.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 1.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 2.4 t90 -92.84 139.95 30.01 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.958 -1.127 . . . . 1.0 107.958 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.8 135.9 53.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 1.0 109.229 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 3.2 t -54.98 132.9 67.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 108.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 95.9 Cg_endo -71.09 -2.08 10.56 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.314 3.343 . . . . 1.0 109.629 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.55 -91.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 1.0 109.291 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.7 p -49.75 -49.34 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 108.317 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.81 -11.08 38.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 1.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.85 165.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 1.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.428 ' OG ' ' CG ' ' A' ' 34' ' ' ASP . 5.1 p -73.04 178.18 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 110.003 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -15.67 62.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 1.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 24.5 p30 -71.8 -15.1 62.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 1.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -76.01 -8.86 57.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 1.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -97.75 142.62 29.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.409 1.068 . . . . 1.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -115.7 116.36 27.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 1.0 110.424 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.85 127.38 29.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 1.0 109.241 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 1.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 2.3 m-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.667 HG22 HG23 ' A' ' 5' ' ' VAL . 44.9 mt -136.19 138.96 46.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 1.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 38' ' ' LYS . 49.3 m-85 -120.06 87.42 2.74 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.816 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.667 HG23 HG22 ' A' ' 3' ' ' ILE . 24.9 t -95.93 128.76 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 1.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 t -67.29 148.21 51.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.5 p -107.67 19.08 20.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 1.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -113.56 -51.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 p -108.36 -25.23 11.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 1.0 108.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.88 22.58 35.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.556 1.16 . . . . 1.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.635 ' O ' HG13 ' A' ' 5' ' ' VAL . 50.1 t80 -60.97 166.2 3.64 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.006 -0.597 . . . . 1.0 109.826 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -129.0 133.69 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.237 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 62.8 t80 -114.08 167.52 10.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.865 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.418 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 4.6 t0 -140.16 92.59 9.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HG2' ' O ' ' A' ' 2' ' ' ASP . 12.0 Cg_exo -34.63 99.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.291 3.327 . . . . 1.0 109.645 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 178.11 70.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.345 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.81 173.77 11.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 1.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -35.49 77.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 1.0 110.346 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.88 -175.94 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.83 83.85 9.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 1.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.9 175.91 0.11 Allowed 'Trans proline' 0 N--CA 1.449 -1.128 0 C-N-CA 124.287 3.325 . . . . 1.0 109.573 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.63 58.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 1.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 176.88 60.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -102.23 134.89 44.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 108.004 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 31' ' ' ALA . . . -120.03 138.76 53.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 1.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.44 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -54.23 134.34 60.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 1.0 108.348 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 70.9 Cg_endo -72.72 -1.11 9.87 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.343 3.362 . . . . 1.0 109.643 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.4 t -114.1 -93.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 1.0 109.313 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.0 p -44.56 -44.21 8.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 1.0 108.297 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 87.61 33.71 11.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 1.0 111.05 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -95.69 161.88 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 1.0 109.392 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' LYS . 6.8 p -70.39 153.41 43.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 1.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ALA . 2.4 tmtt? -39.49 -47.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 1.0 109.392 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.719 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.3 p30 -48.76 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 34' ' ' ASP . . . 161.29 -27.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -77.18 138.72 39.63 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.43 1.081 . . . . 1.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -116.09 143.76 45.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 1.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -86.56 91.12 8.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 1.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 110.296 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.494 ' O ' HD12 ' A' ' 3' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.648 HG22 HG23 ' A' ' 5' ' ' VAL . 1.2 mp -156.72 140.9 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.456 ' CD2' ' HG3' ' A' ' 15' ' ' PRO . 35.3 m-85 -115.04 89.94 3.22 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.853 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.648 HG23 HG22 ' A' ' 3' ' ' ILE . 90.0 t -96.38 118.55 42.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.1 t -58.49 150.44 22.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.0 p -109.71 17.47 21.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 1.0 110.439 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -112.45 -52.61 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.33 -21.82 12.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 1.0 108.332 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.39 21.54 40.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.442 1.089 . . . . 1.0 110.954 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 19.5 t80 -54.1 152.56 5.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.978 -0.611 . . . . 1.0 109.82 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.55 ' HG3' HG22 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -120.44 125.5 48.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -116.88 167.63 10.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.799 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -139.54 90.98 11.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 1.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.664 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 26.9 Cg_exo -36.41 114.31 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 1.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 164.37 71.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.08 166.77 25.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 1.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.74 -174.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -41.55 111.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 1.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.6 HD23 ' HD2' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -72.77 147.24 88.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 1.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HD2' HD23 ' A' ' 20' ' ' LEU . 87.1 Cg_endo -80.7 176.61 8.89 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.243 3.295 . . . . 1.0 109.588 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -110.53 58.89 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 1.0 109.302 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 164.42 74.26 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.481 1.113 . . . . 1.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -103.62 133.62 48.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 108.006 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.57 139.87 52.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 1.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.9 t -53.84 132.56 57.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 108.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.17 -2.92 11.9 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.341 3.361 . . . . 1.0 109.584 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.9 t -108.51 -92.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.5 p -48.57 -50.89 30.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 1.0 108.293 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.99 -10.77 37.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 1.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.14 163.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 1.0 109.28 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.0 p -75.96 170.8 15.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 1.0 110.065 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -82.15 52.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 1.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -115.89 -37.89 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.85 -18.5 60.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -64.97 133.58 52.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 1.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -140.09 140.39 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 110.29 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -65.23 140.32 58.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 1.0 109.373 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 1.0 110.3 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.645 HG22 HG23 ' A' ' 5' ' ' VAL . 2.8 mp -138.36 143.0 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 1.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 15' ' ' PRO . 39.3 m-85 -115.78 97.7 6.27 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.029 -0.987 . . . . 1.0 109.824 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.645 HG23 HG22 ' A' ' 3' ' ' ILE . 39.4 t -108.3 114.31 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.728 ' SG ' HG12 ' A' ' 8' ' ' VAL . 3.5 t -60.0 153.65 20.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 1.0 108.29 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.1 p -109.44 10.73 25.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 1.0 110.387 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.728 HG12 ' SG ' ' A' ' 6' ' ' CYS . 3.4 p -117.25 7.05 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 1.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 6' ' ' CYS . 6.5 p -164.69 -42.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 1.0 108.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 102.58 9.6 40.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.414 1.071 . . . . 1.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 27' ' ' PRO . 18.0 t80 -39.13 156.48 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.034 -0.583 . . . . 1.0 109.84 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.78 118.09 21.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 1.0 110.35 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -119.14 160.36 22.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.967 -1.015 . . . . 1.0 109.811 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -123.98 96.81 41.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 1.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HG3' ' CD2' ' A' ' 4' ' ' TYR . 25.7 Cg_exo -35.8 110.63 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 124.271 3.314 . . . . 1.0 109.633 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . -179.61 48.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 1.0 109.297 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.45 -160.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 1.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -145.62 -62.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 1.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -45.95 -69.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.449 1.093 . . . . 1.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER 39.0 85.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 1.0 109.297 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.03 167.2 23.87 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 124.297 3.331 . . . . 1.0 109.611 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.15 52.86 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 1.0 109.318 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t0 173.91 56.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -87.41 140.36 29.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 108.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 31' ' ' ALA . . . -124.44 139.75 53.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.47 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -46.99 140.85 6.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 1.0 108.303 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 41.6 Cg_endo -81.67 13.07 2.55 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.362 3.375 . . . . 1.0 109.517 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 t -131.73 -73.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 1.0 109.341 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 29.0 p -64.48 -40.66 96.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.604 1.19 . . . . 1.0 108.292 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.07 33.63 25.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 1.0 111.012 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -95.24 152.91 17.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 1.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.409 ' HG ' ' CG ' ' A' ' 34' ' ' ASP . 23.8 p -61.32 145.29 51.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 110.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' ALA . 11.3 ttmm -40.16 -45.82 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.705 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.9 p30 -50.15 92.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 1.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 34' ' ' ASP . . . 161.61 -28.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 1.0 109.23 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.27 140.86 52.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 1.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -129.05 122.77 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -62.03 114.9 3.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 1.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 1.0 110.238 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.239 -0.652 . . . . 1.0 109.239 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.8 HG22 HG23 ' A' ' 5' ' ' VAL . 8.1 mt -136.04 132.85 50.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.546 ' CD1' ' HG2' ' A' ' 15' ' ' PRO . 2.5 m-85 -116.8 83.33 1.95 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.82 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.8 HG23 HG22 ' A' ' 3' ' ' ILE . 44.0 t -92.66 119.9 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.18 149.9 31.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 1.0 108.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 p -109.43 14.91 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 1.0 110.371 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.6 t -109.77 -51.67 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -108.55 -22.01 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 1.0 108.216 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.35 9.32 60.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 1.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.469 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.4 t80 -40.82 155.87 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.986 -0.607 . . . . 1.0 109.855 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.3 132.45 52.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 1.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -145.34 164.14 32.38 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.056 -0.975 . . . . 1.0 109.84 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -137.95 90.08 14.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.546 ' HG2' ' CD1' ' A' ' 4' ' ' TYR . 12.1 Cg_exo -34.67 97.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 1.0 109.596 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.76 70.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 1.0 109.341 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.25 178.49 6.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.14 -72.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 1.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -136.87 158.46 44.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.566 1.166 . . . . 1.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.552 HD23 ' HD2' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -118.05 142.37 30.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.552 ' HD2' HD23 ' A' ' 20' ' ' LEU . 32.3 Cg_endo -85.42 174.0 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.314 3.343 . . . . 1.0 109.616 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.11 43.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 109.34 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 176.29 55.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 1.078 . . . . 1.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -81.73 136.09 35.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 1.0 108.076 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.08 138.87 52.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 4.3 t -53.11 132.43 50.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 1.0 108.289 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.63 -1.86 10.47 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.35 3.367 . . . . 1.0 109.622 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.22 -92.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.069 . . . . 1.0 109.269 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.1 p -49.64 -49.61 46.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 108.285 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.42 -9.95 38.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 1.0 111.042 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.09 163.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.61 0.829 . . . . 1.0 109.34 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -78.15 172.72 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 1.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -82.12 52.17 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -115.42 -39.41 3.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 1.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.64 -18.52 60.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 1.0 109.374 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -64.86 133.79 52.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 1.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -142.0 138.61 31.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -64.26 128.11 34.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.314 -0.624 . . . . 1.0 109.314 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.762 ' CG2' HG23 ' A' ' 5' ' ' VAL . 1.2 mp -147.21 146.6 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 1.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -119.81 76.68 1.17 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.012 -0.995 . . . . 1.0 109.868 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.938 HG22 ' HG2' ' A' ' 12' ' ' GLU . 73.2 t -83.99 115.51 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 1.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 t -48.57 150.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.3 p -108.79 19.23 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 1.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 t -115.43 -53.34 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.4 p -108.91 -22.01 12.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 1.0 108.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.62 10.24 58.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 1.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.673 ' CZ ' ' HG3' ' A' ' 27' ' ' PRO . 14.4 t80 -40.25 158.64 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 118.868 -0.586 . . . . 1.0 109.853 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.938 ' HG2' HG22 ' A' ' 5' ' ' VAL . 2.3 mt-10 -126.26 125.56 42.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 1.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -102.1 160.67 14.31 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.816 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' ALA . 9.2 t70 -134.21 86.87 35.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.7 Cg_exo -34.05 93.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.338 3.359 . . . . 1.0 109.548 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 177.77 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.24 -174.57 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -146.53 56.86 1.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 1.0 110.247 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' LEU . 9.8 t0 178.14 -67.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 109.237 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER 38.36 81.05 0.25 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 1.0 109.292 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.12 176.54 0.99 Allowed 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 124.276 3.317 . . . . 1.0 109.564 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.45 39.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.282 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -171.53 51.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.7 t90 -79.98 142.85 34.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 1.0 107.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.35 138.09 52.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 1.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.485 ' SG ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 t -53.04 133.04 49.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 108.242 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.673 ' HG3' ' CZ ' ' A' ' 11' ' ' TYR . 77.3 Cg_endo -70.45 -3.04 11.66 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.315 3.344 . . . . 1.0 109.595 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.12 -92.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 1.0 109.287 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.4 p -48.64 -51.83 26.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 1.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 109.54 -11.77 33.01 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 1.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.44 161.81 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 1.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 p -74.3 170.01 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -80.92 53.25 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -112.9 -51.12 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.31 -21.68 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 1.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 32.9 m-85 -61.11 133.98 56.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.69 146.15 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -78.74 97.78 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 1.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 4.9 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.553 0.216 . . . . 1.0 111.018 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 2.0 p-10 164.8 56.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.565 ' CG2' HG23 ' A' ' 5' ' ' VAL . 30.3 mm -148.98 143.0 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -125.93 78.81 1.78 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.025 -0.988 . . . . 1.0 109.806 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 11' ' ' TYR . 54.7 t -90.75 118.58 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.52 ' SG ' ' CE1' ' A' ' 36' ' ' PHE . 8.9 t -50.86 146.61 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 1.0 108.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.6 p -106.6 20.57 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.2 t -115.33 -51.87 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 1.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.48 -21.48 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 1.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.44 23.49 33.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.783 ' O ' HG13 ' A' ' 5' ' ' VAL . 7.3 t80 -54.13 162.58 0.98 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.02 -0.59 . . . . 1.0 109.814 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HA ' HG22 ' A' ' 5' ' ' VAL . 1.7 tt0 -124.93 127.12 46.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 1.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.49 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 36.4 t80 -141.08 150.16 42.56 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.815 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.49 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -118.41 139.93 27.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.45 ' CD ' ' O ' ' A' ' 2' ' ' ASP . 64.8 Cg_endo -79.78 70.42 7.52 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.302 3.335 . . . . 1.0 109.647 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.64 38.61 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 1.0 109.27 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 19.4 p90 -102.91 -171.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 1.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -135.37 -45.34 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 7.9 t0 -105.82 95.6 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -115.89 86.89 17.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 1.0 109.251 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 20' ' ' LEU . 71.4 Cg_exo -47.23 174.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.3 3.334 . . . . 1.0 109.563 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.97 57.45 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 1.0 109.273 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t0 173.54 71.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 1.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -108.17 130.71 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 108.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.36 139.45 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.411 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 2.0 t -50.12 135.29 22.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 108.319 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 89.2 Cg_endo -83.26 19.56 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.309 3.34 . . . . 1.0 109.598 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.48 -73.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 109.304 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -70.63 -32.65 70.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 1.0 108.32 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.29 -12.77 67.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 1.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.09 160.21 2.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 1.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.8 p -68.36 165.05 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 1.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 46.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -108.25 -31.8 7.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 1.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.85 -2.73 41.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CE1' ' SG ' ' A' ' 6' ' ' CYS . 6.7 m-85 -79.62 134.95 36.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 1.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LYS . 2.8 tt0 -165.46 150.99 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 1.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 1' ' ' MET . 4.1 ttpt -40.05 139.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 1.0 110.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.484 0.183 . . . . 1.0 110.98 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 51.54 98.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.148 . . . . 1.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.686 HG22 HG23 ' A' ' 5' ' ' VAL . 15.8 mm -141.85 140.86 30.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 1.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -120.2 83.77 2.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.954 -1.021 . . . . 1.0 109.843 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.852 HG22 ' HG2' ' A' ' 12' ' ' GLU . 61.1 t -88.43 119.15 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 1.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.6 t -48.71 148.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 1.0 108.262 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -107.4 17.03 23.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 t -112.22 -52.1 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 1.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.4 p -107.84 -25.05 11.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.619 1.199 . . . . 1.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.75 15.24 46.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.123 . . . . 1.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.838 ' O ' HG13 ' A' ' 5' ' ' VAL . 19.3 t80 -51.66 166.35 0.14 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.023 -0.589 . . . . 1.0 109.884 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.852 ' HG2' HG22 ' A' ' 5' ' ' VAL . 7.6 mt-10 -128.75 124.3 35.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 1.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.425 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 62.5 t80 -104.47 164.77 11.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.796 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 t70 -134.88 97.59 13.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.689 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 11.3 Cg_exo -34.48 131.98 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.321 3.348 . . . . 1.0 109.601 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 15' ' ' PRO . . . 83.05 73.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 1.0 109.394 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -93.28 -64.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 1.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -178.99 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 1.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LEU . 2.8 m-20 -96.21 -49.9 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 1.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 38.4 83.42 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 1.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -81.67 178.42 6.59 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.38 3.387 . . . . 1.0 109.578 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.73 35.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 1.0 109.31 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -162.59 43.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 1.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -80.17 140.05 36.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 108.0 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.77 140.06 53.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.514 ' CB ' ' HG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -42.34 139.0 1.95 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 1.0 108.351 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.546 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -84.67 15.53 2.17 Favored 'Trans proline' 0 N--CA 1.446 -1.3 0 C-N-CA 124.292 3.328 . . . . 1.0 109.632 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.6 t -139.6 -73.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 109.325 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.514 ' HG ' ' CB ' ' A' ' 26' ' ' CYS . 18.8 p -63.9 -21.91 66.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 1.0 108.311 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.46 35.45 91.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 1.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . . . -103.07 159.93 15.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 p -60.57 153.76 22.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 1.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.2 49.42 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.388 1.055 . . . . 1.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -114.92 -41.42 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 1.0 109.237 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.84 -13.04 41.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 1.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.43 133.42 49.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 1.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 2.5 tp10 -156.21 145.14 20.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -39.91 139.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.302 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtp . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.518 0.199 . . . . 1.0 111.05 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 44.12 91.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 1.0 109.228 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.623 HG22 HG23 ' A' ' 5' ' ' VAL . 68.7 mt -145.33 133.97 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 1.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -112.69 92.07 3.88 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.824 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.623 HG23 HG22 ' A' ' 3' ' ' ILE . 40.0 t -95.94 114.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 1.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.2 t -50.62 152.13 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 108.271 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.463 ' OG1' ' HB1' ' A' ' 35' ' ' ALA . 45.7 p -109.81 18.19 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 110.424 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.6 t -115.11 -52.87 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 1.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.2 p -108.57 -20.86 12.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 108.348 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 91.37 11.84 60.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 1.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.491 ' CE2' ' CG ' ' A' ' 27' ' ' PRO . 11.8 t80 -39.93 157.28 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.998 -0.601 . . . . 1.0 109.808 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.66 119.26 25.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 1.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -105.51 157.58 17.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.847 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' PRO . 19.9 t0 -135.12 88.64 25.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 1.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.547 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.6 Cg_exo -34.53 107.14 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.282 3.321 . . . . 1.0 109.616 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 173.19 68.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 1.0 109.266 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -154.13 -171.58 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -144.81 62.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 1.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.43 94.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 1.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tt -143.39 82.84 11.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.71 -175.61 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.315 3.344 . . . . 1.0 109.641 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.18 55.78 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 178.24 62.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 1.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -97.5 139.35 33.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 1.0 108.029 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.77 138.84 53.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 1.0 109.234 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.0 t -52.74 133.07 46.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 1.0 108.286 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.491 ' CG ' ' CE2' ' A' ' 11' ' ' TYR . 93.2 Cg_endo -72.45 -2.03 11.12 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.312 3.341 . . . . 1.0 109.603 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.8 t -109.11 -91.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 109.331 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.0 p -49.89 -49.84 48.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 108.28 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.46 -11.72 39.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 1.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.41 164.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 1.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 p -68.5 170.33 9.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 1.0 109.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -90.24 40.69 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 1.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -96.15 -50.62 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 1.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.463 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -61.29 -15.09 31.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 10.6 m-85 -64.55 135.21 55.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 1.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.94 154.08 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 1.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -94.56 105.32 17.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 1.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 110.294 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mtt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.478 0.18 . . . . 1.0 111.048 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.454 ' O ' HD13 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -166.56 156.18 11.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 1.0 109.372 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.454 HD13 ' O ' ' A' ' 2' ' ' ASP . 33.0 mm -144.96 140.0 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -131.18 105.5 7.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.069 -0.969 . . . . 1.0 109.85 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.893 HG13 ' O ' ' A' ' 11' ' ' TYR . 69.9 t -108.77 128.22 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.44 ' SG ' ' CE1' ' A' ' 36' ' ' PHE . 6.2 t -57.76 141.23 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 35' ' ' ALA . 71.3 p -103.56 20.25 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 1.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.4 t -114.95 -51.57 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 1.0 109.362 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 p -108.17 -22.04 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 1.0 108.267 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.94 5.53 59.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 1.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.893 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.3 t80 -41.89 161.29 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.024 -0.588 . . . . 1.0 109.802 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' CG ' HG22 ' A' ' 5' ' ' VAL . 3.4 mt-10 -126.49 136.41 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 1.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.456 ' CE1' ' CH2' ' A' ' 24' ' ' TRP . 42.5 t80 -116.19 154.25 30.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.03 -0.986 . . . . 1.0 109.848 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -136.13 88.03 22.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.675 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 33.0 Cg_exo -36.29 127.11 0.4 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 124.307 3.338 . . . . 1.0 109.544 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 163.1 -29.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 1.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -54.41 -174.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 1.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -127.61 -57.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 1.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.95 95.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 1.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.47 81.98 66.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.18 172.76 12.48 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.308 3.339 . . . . 1.0 109.683 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -94.24 53.22 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 1.0 109.293 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -179.57 56.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CH2' ' CE1' ' A' ' 13' ' ' TYR . 2.0 t90 -97.41 136.11 38.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 1.0 108.022 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.998 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -128.31 139.86 52.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 1.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' GLY . 5.5 t -48.65 107.38 0.75 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 1.0 108.309 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.22 -18.97 1.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.291 3.327 . . . . 1.0 109.594 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -85.02 -90.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 109.351 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.9 p -59.32 -46.9 87.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 1.0 108.34 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.998 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 114.04 -16.38 20.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 1.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.17 160.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 1.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.404 ' OG ' ' OD1' ' A' ' 34' ' ' ASP . 92.4 p -69.08 173.55 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 1.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.59 15.0 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 26.7 p-10 -86.3 -22.68 26.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.446 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -82.27 -6.86 59.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 109.313 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CE1' ' SG ' ' A' ' 6' ' ' CYS . 5.0 m-85 -83.17 137.84 33.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 1.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -153.66 153.02 31.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 1.0 110.248 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -44.37 141.12 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 109.293 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 1.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.582 0.23 . . . . 1.0 111.017 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -122.95 -59.59 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 1.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.7 mt -149.72 142.39 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 1.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -126.75 102.89 7.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.758 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 11' ' ' TYR . 33.6 t -109.42 130.06 63.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 1.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -65.1 147.4 53.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 1.0 108.343 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 p -107.27 16.02 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 1.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.79 -50.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 p -108.0 -25.03 11.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 1.0 108.274 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.91 15.23 53.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.416 1.073 . . . . 1.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.825 ' O ' HG13 ' A' ' 5' ' ' VAL . 26.2 t80 -53.06 160.25 1.04 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.044 -0.578 . . . . 1.0 109.825 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.747 ' HG2' HG22 ' A' ' 5' ' ' VAL . 5.5 mt-10 -126.06 131.97 52.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 110.236 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -112.67 159.47 18.87 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.955 -1.02 . . . . 1.0 109.836 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.07 90.6 25.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.064 . . . . 1.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -36.11 94.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.289 3.326 . . . . 1.0 109.606 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' CD1' ' A' ' 17' ' ' PHE . . . -177.25 70.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.309 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 13.5 m-85 -149.69 -171.03 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -138.52 55.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.94 93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 1.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tt -136.03 83.32 34.17 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -83.64 177.29 6.38 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 124.29 3.327 . . . . 1.0 109.626 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -93.62 55.84 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 1.0 109.266 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -178.25 60.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.6 t90 -100.83 139.1 37.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 107.999 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 31' ' ' ALA . . . -125.14 137.58 54.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 1.0 109.237 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 1.3 t -53.19 133.87 50.92 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 1.0 108.265 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 71.2 Cg_endo -72.89 -0.57 9.18 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.241 3.294 . . . . 1.0 109.604 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.4 t -113.8 -92.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 1.0 109.337 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 27.5 p -45.59 -44.14 12.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 1.0 108.297 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 88.16 33.2 10.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 1.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -94.28 162.8 13.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 1.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.437 ' HG ' ' CG ' ' A' ' 34' ' ' ASP . 77.5 p -69.58 152.27 44.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 1.0 109.922 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ALA . 13.3 tmtt? -40.13 -51.09 2.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.7 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -46.37 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 34' ' ' ASP . . . 161.7 -28.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 1.0 109.267 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -76.39 140.82 41.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 1.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.77 148.18 33.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 110.258 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -52.63 139.67 25.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 1.0 109.221 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.467 ' OE1' HG21 ' A' ' 5' ' ' VAL . 1.8 tt0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 1.0 110.281 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 mmt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.453 0.168 . . . . 1.0 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -114.52 85.68 2.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 1.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.805 ' CG2' HG23 ' A' ' 5' ' ' VAL . 12.4 mt -140.07 142.35 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 71.17 0.75 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.977 -1.01 . . . . 1.0 109.844 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.805 HG23 ' CG2' ' A' ' 3' ' ' ILE . 75.0 t -76.42 117.32 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 1.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.4 t -55.05 152.94 7.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 108.291 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -110.96 14.7 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.61 -53.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 1.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.08 -19.4 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.362 1.039 . . . . 1.0 108.314 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.22 10.92 60.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 1.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 13.0 t80 -39.67 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 118.871 -0.585 . . . . 1.0 109.841 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.591 ' HG2' HG22 ' A' ' 5' ' ' VAL . 8.4 mt-10 -127.13 111.45 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' CE1' ' A' ' 17' ' ' PHE . 74.6 t80 -101.49 158.95 15.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.826 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.63 91.84 24.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.683 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 10.9 Cg_exo -34.6 103.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.348 3.365 . . . . 1.0 109.582 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 163.66 69.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.276 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CE1' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m-85 -137.19 -172.15 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 1.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 2.0 tt0 -133.24 123.92 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 1.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER 80.83 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 1.0 109.239 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -119.94 82.55 28.62 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.082 . . . . 1.0 109.29 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -47.58 168.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.396 3.398 . . . . 1.0 109.576 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.77 37.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.85 60.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -88.79 139.77 30.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.54 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 42.8 t -48.57 133.66 13.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 1.0 108.345 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 73.6 Cg_endo -72.77 -0.88 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.33 3.353 . . . . 1.0 109.599 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.21 -93.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 109.335 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.4 p -46.4 -45.18 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.0 108.267 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.14 -6.29 53.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.457 1.098 . . . . 1.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 163.93 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 1.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.6 p -75.86 173.82 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.82 50.11 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 1.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -112.86 -52.44 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.34 63.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -62.45 133.83 55.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 1.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -120.77 147.66 45.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 1.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 98.34 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 1.0 110.3 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 mmt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.453 0.168 . . . . 1.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -114.52 85.68 2.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 1.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.805 ' CG2' HG23 ' A' ' 5' ' ' VAL . 12.4 mt -140.07 142.35 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 71.17 0.75 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.977 -1.01 . . . . 1.0 109.844 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.805 HG23 ' CG2' ' A' ' 3' ' ' ILE . 75.0 t -76.42 117.32 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 1.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.4 t -55.05 152.94 7.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 108.291 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -110.96 14.7 22.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 1.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.61 -53.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 1.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.08 -19.4 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.362 1.039 . . . . 1.0 108.314 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.22 10.92 60.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 1.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 13.0 t80 -39.67 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 118.871 -0.585 . . . . 1.0 109.841 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.591 ' HG2' HG22 ' A' ' 5' ' ' VAL . 8.4 mt-10 -127.13 111.45 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' CE1' ' A' ' 17' ' ' PHE . 74.6 t80 -101.49 158.95 15.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.826 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.63 91.84 24.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 1.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.683 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 10.9 Cg_exo -34.6 103.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.348 3.365 . . . . 1.0 109.582 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 163.66 69.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.276 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CE1' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m-85 -137.19 -172.15 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 1.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 2.0 tt0 -133.24 123.92 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 1.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER 80.83 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 1.0 109.239 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -119.94 82.55 28.62 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.082 . . . . 1.0 109.29 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -47.58 168.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.396 3.398 . . . . 1.0 109.576 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.77 37.48 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.85 60.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -88.79 139.77 30.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.54 50.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 42.8 t -48.57 133.66 13.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 1.0 108.345 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 73.6 Cg_endo -72.77 -0.88 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.33 3.353 . . . . 1.0 109.599 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.21 -93.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 109.335 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.4 p -46.4 -45.18 17.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.0 108.267 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.14 -6.29 53.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.457 1.098 . . . . 1.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.4 163.93 3.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 1.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.6 p -75.86 173.82 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.82 50.11 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 1.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -112.86 -52.44 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.34 63.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -62.45 133.83 55.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.595 1.184 . . . . 1.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -120.77 147.66 45.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.09 . . . . 1.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 98.34 11.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 1.0 110.3 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtp . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.531 0.205 . . . . 1.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.413 ' CG ' ' HB3' ' A' ' 15' ' ' PRO . 5.3 p-10 178.96 164.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.382 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.458 ' CG2' HG23 ' A' ' 5' ' ' VAL . 76.8 mt -146.82 143.81 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 109.234 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -126.44 85.07 2.34 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.8 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.458 HG23 ' CG2' ' A' ' 3' ' ' ILE . 45.2 t -95.86 119.55 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.612 1.195 . . . . 1.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 t -54.46 149.62 10.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 1.0 108.301 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.1 p -109.65 17.98 20.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 1.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -113.85 -51.39 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 109.235 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 p -108.86 -19.99 13.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 1.0 108.299 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.05 19.99 51.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 1.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.411 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.2 t80 -52.46 154.5 2.51 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.015 -0.593 . . . . 1.0 109.858 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.21 131.88 56.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.049 . . . . 1.0 110.362 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 85.6 t80 -118.46 166.87 12.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.056 -0.974 . . . . 1.0 109.841 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 2.8 t70 -140.79 139.72 20.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.625 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 95.3 Cg_endo -72.25 94.42 0.74 Allowed 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 124.31 3.34 . . . . 1.0 109.574 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 168.51 70.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 1.0 109.272 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -138.56 166.65 23.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 1.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -73.95 69.48 1.43 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.153 . . . . 1.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.73 168.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 1.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 20' ' ' LEU . 1.2 tp -111.64 140.83 23.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 1.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -82.41 174.85 9.5 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.255 3.303 . . . . 1.0 109.595 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -100.86 49.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 1.0 109.275 -179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 5.2 m-20 162.12 74.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -103.9 133.11 49.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 1.0 108.013 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.83 139.65 53.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 1.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.8 t -53.32 132.65 52.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 1.0 108.378 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -72.15 -1.97 10.89 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.263 3.309 . . . . 1.0 109.608 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.1 t -108.88 -91.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 1.0 109.272 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.6 p -50.29 -50.38 50.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 108.279 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 108.25 -11.43 36.83 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 1.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.69 163.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 1.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.2 p -73.42 172.11 11.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 1.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -85.48 48.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 1.0 109.253 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -106.11 -47.69 3.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 1.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 34' ' ' ASP . . . -66.61 -16.6 64.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 1.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.507 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 20.8 m-85 -64.25 132.67 50.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 1.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -109.85 149.36 29.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 1.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.91 86.6 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 1.0 109.232 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 1.0 110.272 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.548 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.498 0.19 . . . . 1.0 110.983 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.569 ' CB ' ' HG3' ' A' ' 15' ' ' PRO . 1.0 OUTLIER 57.79 80.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 1.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.628 HG22 HG23 ' A' ' 5' ' ' VAL . 14.3 mt -136.79 137.78 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 1.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -107.23 96.05 6.14 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.989 -1.005 . . . . 1.0 109.842 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.628 HG23 HG22 ' A' ' 3' ' ' ILE . 24.4 t -105.19 115.78 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.9 t -54.43 152.15 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 108.361 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -110.9 12.41 22.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 1.0 110.394 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.5 t -107.3 -53.76 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 1.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.8 -20.18 13.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 1.0 108.324 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 94.45 7.34 60.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.424 1.078 . . . . 1.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' GLY . 16.1 t80 -39.46 154.8 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.803 -0.617 . . . . 1.0 109.879 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HG3' HG13 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -127.55 124.38 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 1.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 56.0 t80 -125.77 161.9 26.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.947 -1.024 . . . . 1.0 109.825 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.598 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 2.5 t70 -128.75 140.98 40.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 1.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.661 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 91.7 Cg_endo -78.78 100.49 1.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.298 3.332 . . . . 1.0 109.584 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 165.3 68.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -148.12 -172.12 3.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 1.0 111.007 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.38 59.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 179.49 94.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.04 78.75 15.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 1.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.74 168.61 20.81 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.293 3.329 . . . . 1.0 109.591 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.27 37.28 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 109.237 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -160.83 48.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -95.78 142.43 28.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 107.975 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 1.005 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -130.91 135.22 47.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 1.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' GLY . 6.2 t -46.35 106.04 0.53 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 1.0 108.321 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -46.22 -20.43 0.86 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.296 3.331 . . . . 1.0 109.634 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 26' ' ' CYS . 96.5 t -83.63 -90.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 1.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.6 p -60.52 -47.7 85.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 108.311 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 1.005 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 114.41 -15.63 20.03 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 1.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.32 158.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 0.791 . . . . 1.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -72.9 167.81 20.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.12 48.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 1.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -117.47 -46.0 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 1.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.74 -21.69 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 1.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -61.84 133.52 55.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 1.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -108.7 140.74 41.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 1.0 110.327 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.98 86.52 4.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 110.329 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.591 0.234 . . . . 1.0 111.062 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -90.31 161.49 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 1.0 109.343 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.708 HG22 HG23 ' A' ' 5' ' ' VAL . 3.2 mt -135.32 134.68 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 1.0 109.331 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.744 ' CD1' ' HG2' ' A' ' 15' ' ' PRO . 2.8 m-85 -114.55 81.93 1.64 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.039 -0.982 . . . . 1.0 109.887 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.708 HG23 HG22 ' A' ' 3' ' ' ILE . 76.5 t -86.65 118.4 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 t -58.86 150.12 24.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 1.0 108.316 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.4 p -109.39 16.99 21.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.8 t -112.18 -53.74 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.79 -20.06 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 108.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.67 9.61 59.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 1.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -39.43 148.58 0.06 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.029 -0.586 . . . . 1.0 109.888 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.505 ' CD ' HG22 ' A' ' 5' ' ' VAL . 1.6 mm-40 -120.16 114.77 22.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.456 1.097 . . . . 1.0 110.328 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -125.8 161.12 28.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.845 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -133.85 90.08 28.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 109.235 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.744 ' HG2' ' CD1' ' A' ' 4' ' ' TYR . 11.9 Cg_exo -34.59 109.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.313 3.342 . . . . 1.0 109.608 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 172.81 69.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 109.347 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -141.21 -166.89 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 1.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -119.03 -53.98 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.073 . . . . 1.0 110.355 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.17 99.93 8.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 109.223 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 tt -135.17 82.82 40.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.22 171.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.37 3.38 . . . . 1.0 109.567 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.57 38.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 1.0 109.216 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.0 50.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.6 137.59 57.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 108.038 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.75 137.37 51.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 1.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 44.1 t -50.41 133.59 25.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 108.334 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 77.2 Cg_endo -72.56 -0.67 9.15 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.284 3.323 . . . . 1.0 109.645 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -114.02 -93.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 1.0 109.301 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.8 p -47.37 -45.47 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 1.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 102.78 -6.16 51.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 1.0 111.066 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.64 164.23 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 0.766 . . . . 1.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.6 p -81.03 176.91 9.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 1.0 110.037 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 50.3 1.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 1.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -115.46 -43.19 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 1.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.81 -25.29 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 1.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -64.4 133.66 53.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -143.76 132.22 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 1.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 137.23 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 1.0 110.241 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.517 0.198 . . . . 1.0 110.987 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.85 96.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 1.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.663 ' CG2' HG23 ' A' ' 5' ' ' VAL . 2.3 mt -140.87 146.76 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -120.74 80.98 1.7 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.889 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.875 HG22 ' HG2' ' A' ' 12' ' ' GLU . 54.1 t -87.37 115.02 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.2 t -48.06 151.73 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 1.0 108.263 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.3 p -110.21 16.75 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 110.387 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 t -112.8 -53.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 1.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 p -108.77 -20.55 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.382 1.051 . . . . 1.0 108.314 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 92.89 10.28 60.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.135 . . . . 1.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLY . 12.7 t80 -39.97 157.32 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.984 -0.608 . . . . 1.0 109.865 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.875 ' HG2' HG22 ' A' ' 5' ' ' VAL . 5.6 mt-10 -124.12 126.49 46.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.582 ' OH ' ' CD1' ' A' ' 17' ' ' PHE . 34.4 t80 -108.03 154.97 20.89 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.845 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -133.64 84.88 43.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 1.0 109.316 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -34.94 105.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.278 3.319 . . . . 1.0 109.647 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.98 34.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.582 ' CD1' ' OH ' ' A' ' 13' ' ' TYR . 41.6 p90 -105.83 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 1.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -129.36 118.2 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 1.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 46.27 88.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 1.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.536 HD12 ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -90.71 145.88 33.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.536 ' HD2' HD12 ' A' ' 20' ' ' LEU . 35.9 Cg_endo -60.18 171.29 3.22 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.313 3.342 . . . . 1.0 109.558 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -104.57 56.19 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 1.0 109.313 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 172.79 70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 1.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 7.4 t90 -94.65 141.53 28.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 1.0 107.95 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.57 137.76 52.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 1.0 109.353 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 4.4 t -55.73 132.43 72.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 1.0 108.264 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -70.7 -2.15 10.39 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.309 3.339 . . . . 1.0 109.613 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.27 -92.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 109.316 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.8 p -49.75 -49.7 47.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 1.0 108.319 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 108.85 -10.88 34.82 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.454 1.096 . . . . 1.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.03 164.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 0.806 . . . . 1.0 109.26 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.8 p -86.19 176.03 8.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 109.979 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -76.64 55.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 1.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -115.44 -49.75 2.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.48 -24.99 63.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 1.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -60.41 133.13 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 1.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -126.82 151.68 47.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.61 105.1 15.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 1.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtp . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.515 0.198 . . . . 1.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.73 135.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 1.0 109.238 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.515 HG22 HG23 ' A' ' 5' ' ' VAL . 14.7 mt -138.42 140.47 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 1.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -117.15 95.34 4.94 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.82 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.723 HG22 ' HG2' ' A' ' 12' ' ' GLU . 89.5 t -93.88 121.52 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.7 t -55.78 152.41 9.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 108.25 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 p -110.38 15.58 22.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 110.443 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.4 t -111.53 -53.11 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.362 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -109.93 -19.1 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 1.0 108.321 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.88 9.49 60.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.088 . . . . 1.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.433 ' O ' HG13 ' A' ' 5' ' ' VAL . 13.7 t80 -40.06 157.72 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.008 -0.596 . . . . 1.0 109.857 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.723 ' HG2' HG22 ' A' ' 5' ' ' VAL . 3.6 mt-10 -127.82 112.88 15.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.403 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 66.3 t80 -97.43 157.03 16.21 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.809 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' ALA . 9.6 t70 -134.18 90.81 24.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.546 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.4 Cg_exo -34.41 93.97 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.313 3.342 . . . . 1.0 109.588 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 172.8 68.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 109.336 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -136.69 -172.63 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 1.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 4.7 tt0 -128.66 123.47 33.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER 74.94 98.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 109.352 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tt -121.97 83.68 44.2 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.52 171.92 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.271 3.314 . . . . 1.0 109.62 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.14 42.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.12 49.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.403 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 6.4 t90 -85.14 141.92 29.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.995 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -131.32 134.96 46.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 1.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 30' ' ' GLY . 5.7 t -46.7 106.26 0.56 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 1.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -46.51 -20.03 0.86 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.224 3.283 . . . . 1.0 109.651 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' CYS . 96.9 t -84.14 -90.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 1.0 109.298 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 18.6 p -60.15 -46.9 88.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 108.346 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.995 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 113.21 -15.37 22.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 1.0 111.011 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -43.0 161.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 1.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 p -76.13 170.26 16.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 47.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 1.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -116.29 -41.63 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.37 -21.96 66.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -63.15 136.04 57.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 1.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.99 152.25 39.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 1.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -57.54 127.09 30.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 1.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.548 0.213 . . . . 1.0 110.981 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 43.47 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 1.0 109.364 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.7 HG22 HG23 ' A' ' 5' ' ' VAL . 22.7 mt -138.81 140.09 39.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 1.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -115.88 87.64 2.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.862 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.729 HG22 ' HG2' ' A' ' 12' ' ' GLU . 98.4 t -92.09 123.2 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 109.215 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.2 t -58.64 154.17 14.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 1.0 108.303 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.3 p -111.43 13.66 21.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.16 -52.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.0 109.266 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -109.08 -19.19 13.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 1.0 108.335 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.58 12.13 61.38 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.421 1.076 . . . . 1.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.555 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.1 t80 -41.03 157.66 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.974 -0.613 . . . . 1.0 109.882 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.729 ' HG2' HG22 ' A' ' 5' ' ' VAL . 2.6 mt-10 -128.52 113.79 15.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 1.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -102.62 161.68 13.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.785 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -136.99 93.06 13.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 1.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -34.63 97.49 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.342 3.361 . . . . 1.0 109.598 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.53 67.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 109.316 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.57 -163.65 1.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.554 1.159 . . . . 1.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.02 -62.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 1.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.04 104.53 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -122.3 83.67 46.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 1.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.7 -176.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 124.378 3.385 . . . . 1.0 109.586 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -110.5 48.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 1.0 109.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -171.58 55.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 1.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -88.97 138.95 30.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 1.0 108.022 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -127.77 134.68 49.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 1.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' GLY . 4.7 t -47.5 106.97 0.65 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 1.0 108.222 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -47.57 -19.89 1.45 Allowed 'Trans proline' 0 N--CA 1.446 -1.297 0 C-N-CA 124.31 3.34 . . . . 1.0 109.618 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -83.66 -89.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 1.0 109.269 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 9.4 p -61.27 -48.69 80.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 1.0 108.219 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.965 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 116.48 -17.66 13.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 1.0 111.012 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.72 156.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 1.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 p -68.73 176.82 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.187 . . . . 1.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.526 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -90.5 38.29 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 1.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -101.34 -53.81 2.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 1.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.47 -22.49 32.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 26.1 m-85 -60.68 134.84 57.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 1.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.19 145.85 29.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 110.238 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -61.39 119.26 8.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.579 1.174 . . . . 1.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 1.0 110.302 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mtt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.474 0.178 . . . . 1.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.19 157.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 1.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.534 HG22 HG23 ' A' ' 5' ' ' VAL . 97.1 mt -137.14 142.94 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 1.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.403 ' HD2' ' CD1' ' A' ' 13' ' ' TYR . 63.6 m-85 -124.81 87.42 2.71 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.79 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 11' ' ' TYR . 78.6 t -98.68 120.26 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 1.0 109.369 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.1 t -50.95 150.25 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 1.0 108.305 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.8 p -107.49 21.75 17.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 1.0 110.354 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -117.93 -52.2 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 1.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -108.61 -24.28 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 1.0 108.297 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.84 18.14 45.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 1.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.895 ' CZ ' ' HG3' ' A' ' 27' ' ' PRO . 18.8 t80 -49.89 160.53 0.31 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.98 -0.61 . . . . 1.0 109.82 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -121.92 132.87 54.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 14' ' ' ASP . 1.3 t80 -118.59 150.28 39.94 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.876 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.592 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 1.4 t70 -117.68 142.86 31.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 1.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -81.14 70.33 7.53 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 124.311 3.34 . . . . 1.0 109.566 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.91 69.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -138.07 168.06 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.52 56.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 1.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.27 94.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -128.11 81.17 70.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.23 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -65.34 177.21 2.74 Favored 'Trans proline' 0 N--CA 1.446 -1.318 0 C-N-CA 124.383 3.389 . . . . 1.0 109.615 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -103.54 42.02 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.65 50.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -90.43 138.44 31.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 1.0 108.009 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 30' ' ' GLY . . . -127.65 136.54 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -42.75 136.83 2.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.378 1.049 . . . . 1.0 108.246 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.895 ' HG3' ' CZ ' ' A' ' 11' ' ' TYR . 98.5 Cg_endo -69.38 -5.26 15.53 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.314 3.343 . . . . 1.0 109.587 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t -112.97 -93.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 109.324 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 23.9 p -44.34 -51.46 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 1.0 108.311 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.862 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 107.43 -11.55 39.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.106 . . . . 1.0 110.972 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -51.81 164.49 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 0.757 . . . . 1.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.7 p -74.38 175.44 7.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 1.0 109.953 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 48.81 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 1.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -113.32 -33.65 5.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 1.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.77 42.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 1.0 109.236 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -120.77 138.96 53.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -163.89 153.1 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 1.0 110.355 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -50.68 135.45 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 1.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 1.0 110.273 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.612 0.244 . . . . 1.0 111.06 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 176.63 69.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 1.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.526 ' CG2' HG23 ' A' ' 5' ' ' VAL . 1.2 mp -154.78 142.16 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 1.0 109.333 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -128.13 90.54 3.1 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.859 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 11' ' ' TYR . 57.7 t -102.64 120.6 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.58 157.17 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 1.0 108.312 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 35' ' ' ALA . 5.9 p -114.59 2.71 14.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 1.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.1 t -96.16 -51.07 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 1.0 109.294 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.36 -22.91 12.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 1.0 108.277 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.37 19.11 46.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 1.0 111.065 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.76 ' O ' HG13 ' A' ' 5' ' ' VAL . 15.6 t80 -50.68 158.35 0.66 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.985 -0.607 . . . . 1.0 109.864 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.621 ' HG2' HG22 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -124.9 130.5 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 60.1 t80 -117.15 153.38 32.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.912 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -131.34 90.55 37.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 1.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.628 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 13.3 Cg_exo -35.08 116.61 0.11 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.3 3.333 . . . . 1.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 167.24 69.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 1.0 109.24 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.95 -162.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -134.39 -50.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 1.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.96 94.34 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.07 . . . . 1.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.05 80.7 71.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 1.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.4 -176.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.336 3.357 . . . . 1.0 109.625 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -106.42 54.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.7 61.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 1.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' CH2' ' CD1' ' A' ' 13' ' ' TYR . 2.4 t90 -92.84 139.95 30.01 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.958 -1.127 . . . . 1.0 107.958 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.8 135.9 53.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 1.0 109.229 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 3.2 t -54.98 132.9 67.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 108.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 95.9 Cg_endo -71.09 -2.08 10.56 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.314 3.343 . . . . 1.0 109.629 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.55 -91.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 1.0 109.291 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.7 p -49.75 -49.34 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 108.317 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.81 -11.08 38.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 1.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.85 165.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 1.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.428 ' OG ' ' CG ' ' A' ' 34' ' ' ASP . 5.1 p -73.04 178.18 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 110.003 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -15.67 62.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 1.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 24.5 p30 -71.8 -15.1 62.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 1.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -76.01 -8.86 57.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 1.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -97.75 142.62 29.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.409 1.068 . . . . 1.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -115.7 116.36 27.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 1.0 110.424 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.85 127.38 29.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 1.0 109.241 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 1.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.475 0.179 . . . . 1.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 2.3 m-20 -50.9 109.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.162 . . . . 1.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.667 HG22 HG23 ' A' ' 5' ' ' VAL . 44.9 mt -136.19 138.96 46.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 1.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 38' ' ' LYS . 49.3 m-85 -120.06 87.42 2.74 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.816 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.667 HG23 HG22 ' A' ' 3' ' ' ILE . 24.9 t -95.93 128.76 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 1.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 t -67.29 148.21 51.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.5 p -107.67 19.08 20.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 1.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -113.56 -51.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 p -108.36 -25.23 11.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 1.0 108.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.88 22.58 35.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.556 1.16 . . . . 1.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.635 ' O ' HG13 ' A' ' 5' ' ' VAL . 50.1 t80 -60.97 166.2 3.64 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.006 -0.597 . . . . 1.0 109.826 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -129.0 133.69 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.237 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 62.8 t80 -114.08 167.52 10.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.865 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.418 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 4.6 t0 -140.16 92.59 9.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HG2' ' O ' ' A' ' 2' ' ' ASP . 12.0 Cg_exo -34.63 99.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.291 3.327 . . . . 1.0 109.645 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 178.11 70.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.345 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.81 173.77 11.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 1.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -35.49 77.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 1.0 110.346 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.88 -175.94 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.83 83.85 9.26 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 1.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.9 175.91 0.11 Allowed 'Trans proline' 0 N--CA 1.449 -1.128 0 C-N-CA 124.287 3.325 . . . . 1.0 109.573 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.63 58.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 1.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 176.88 60.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -102.23 134.89 44.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 108.004 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 31' ' ' ALA . . . -120.03 138.76 53.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 1.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -54.23 134.34 60.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 1.0 108.348 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 70.9 Cg_endo -72.72 -1.11 9.87 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.343 3.362 . . . . 1.0 109.643 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.4 t -114.1 -93.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 1.0 109.313 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.0 p -44.56 -44.21 8.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 1.0 108.297 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 87.61 33.71 11.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 1.0 111.05 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -95.69 161.88 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 1.0 109.392 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' LYS . 6.8 p -70.39 153.41 43.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 1.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ALA . 2.4 tmtt? -39.49 -47.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 1.0 109.392 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.719 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.3 p30 -48.76 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 34' ' ' ASP . . . 161.29 -27.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -77.18 138.72 39.63 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.43 1.081 . . . . 1.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -116.09 143.76 45.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 1.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -86.56 91.12 8.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 1.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 110.296 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.521 0.2 . . . . 1.0 111.016 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.494 ' O ' HD12 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -144.21 109.36 5.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 1.0 109.306 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.648 HG22 HG23 ' A' ' 5' ' ' VAL . 1.2 mp -156.72 140.9 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.456 ' CD2' ' HG3' ' A' ' 15' ' ' PRO . 35.3 m-85 -115.04 89.94 3.22 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.853 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.648 HG23 HG22 ' A' ' 3' ' ' ILE . 90.0 t -96.38 118.55 42.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.1 t -58.49 150.44 22.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.0 p -109.71 17.47 21.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 1.0 110.439 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -112.45 -52.61 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.33 -21.82 12.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 1.0 108.332 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.39 21.54 40.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.442 1.089 . . . . 1.0 110.954 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 19.5 t80 -54.1 152.56 5.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.978 -0.611 . . . . 1.0 109.82 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.55 ' HG3' HG22 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -120.44 125.5 48.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -116.88 167.63 10.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.799 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -139.54 90.98 11.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 1.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.664 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 26.9 Cg_exo -36.41 114.31 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 1.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 164.37 71.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.08 166.77 25.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 1.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.74 -174.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -41.55 111.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 1.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.6 HD23 ' HD2' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -72.77 147.24 88.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 1.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HD2' HD23 ' A' ' 20' ' ' LEU . 87.1 Cg_endo -80.7 176.61 8.89 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.243 3.295 . . . . 1.0 109.588 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -110.53 58.89 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 1.0 109.302 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 164.42 74.26 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.481 1.113 . . . . 1.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -103.62 133.62 48.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 108.006 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.57 139.87 52.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 1.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 2.9 t -53.84 132.56 57.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 108.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.17 -2.92 11.9 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.341 3.361 . . . . 1.0 109.584 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.9 t -108.51 -92.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.5 p -48.57 -50.89 30.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 1.0 108.293 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.99 -10.77 37.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 1.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.14 163.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 1.0 109.28 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.0 p -75.96 170.8 15.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 1.0 110.065 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -82.15 52.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 1.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -115.89 -37.89 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.85 -18.5 60.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -64.97 133.58 52.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 1.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -140.09 140.39 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 110.29 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -65.23 140.32 58.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 1.0 109.373 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 1.0 110.3 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.521 0.201 . . . . 1.0 111.052 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -159.99 92.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 109.249 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.645 HG22 HG23 ' A' ' 5' ' ' VAL . 2.8 mp -138.36 143.0 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 1.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 15' ' ' PRO . 39.3 m-85 -115.78 97.7 6.27 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.029 -0.987 . . . . 1.0 109.824 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.645 HG23 HG22 ' A' ' 3' ' ' ILE . 39.4 t -108.3 114.31 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.728 ' SG ' HG12 ' A' ' 8' ' ' VAL . 3.5 t -60.0 153.65 20.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 1.0 108.29 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.1 p -109.44 10.73 25.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 1.0 110.387 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.728 HG12 ' SG ' ' A' ' 6' ' ' CYS . 3.4 p -117.25 7.05 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 1.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 6' ' ' CYS . 6.5 p -164.69 -42.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 1.0 108.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 102.58 9.6 40.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.414 1.071 . . . . 1.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 27' ' ' PRO . 18.0 t80 -39.13 156.48 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.034 -0.583 . . . . 1.0 109.84 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.78 118.09 21.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 1.0 110.35 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -119.14 160.36 22.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.967 -1.015 . . . . 1.0 109.811 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -123.98 96.81 41.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 1.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HG3' ' CD2' ' A' ' 4' ' ' TYR . 25.7 Cg_exo -35.8 110.63 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 124.271 3.314 . . . . 1.0 109.633 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . -179.61 48.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 1.0 109.297 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.45 -160.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 1.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -145.62 -62.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 1.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -45.95 -69.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.449 1.093 . . . . 1.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER 39.0 85.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 1.0 109.297 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.03 167.2 23.87 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 124.297 3.331 . . . . 1.0 109.611 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.15 52.86 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 1.0 109.318 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t0 173.91 56.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -87.41 140.36 29.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 108.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 31' ' ' ALA . . . -124.44 139.75 53.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.47 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -46.99 140.85 6.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 1.0 108.303 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 41.6 Cg_endo -81.67 13.07 2.55 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.362 3.375 . . . . 1.0 109.517 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 t -131.73 -73.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 1.0 109.341 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 29.0 p -64.48 -40.66 96.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.604 1.19 . . . . 1.0 108.292 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.07 33.63 25.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 1.0 111.012 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -95.24 152.91 17.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 1.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.409 ' HG ' ' CG ' ' A' ' 34' ' ' ASP . 23.8 p -61.32 145.29 51.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 110.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' ALA . 11.3 ttmm -40.16 -45.82 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 1.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.705 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.9 p30 -50.15 92.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 1.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 34' ' ' ASP . . . 161.61 -28.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 1.0 109.23 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.27 140.86 52.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 1.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -129.05 122.77 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -62.03 114.9 3.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 1.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 1.0 110.238 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 3.7 mtt . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.566 0.222 . . . . 1.0 111.088 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.41 94.44 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 1.0 109.239 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.8 HG22 HG23 ' A' ' 5' ' ' VAL . 8.1 mt -136.04 132.85 50.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.546 ' CD1' ' HG2' ' A' ' 15' ' ' PRO . 2.5 m-85 -116.8 83.33 1.95 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.82 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.8 HG23 HG22 ' A' ' 3' ' ' ILE . 44.0 t -92.66 119.9 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.18 149.9 31.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 1.0 108.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 p -109.43 14.91 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 1.0 110.371 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.6 t -109.77 -51.67 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -108.55 -22.01 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 1.0 108.216 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.35 9.32 60.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 1.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.469 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.4 t80 -40.82 155.87 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.986 -0.607 . . . . 1.0 109.855 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.3 132.45 52.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 1.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -145.34 164.14 32.38 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.056 -0.975 . . . . 1.0 109.84 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -137.95 90.08 14.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.546 ' HG2' ' CD1' ' A' ' 4' ' ' TYR . 12.1 Cg_exo -34.67 97.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 1.0 109.596 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.76 70.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 1.0 109.341 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.25 178.49 6.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.14 -72.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 1.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -136.87 158.46 44.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.566 1.166 . . . . 1.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.552 HD23 ' HD2' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -118.05 142.37 30.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.552 ' HD2' HD23 ' A' ' 20' ' ' LEU . 32.3 Cg_endo -85.42 174.0 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.314 3.343 . . . . 1.0 109.616 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.11 43.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 109.34 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 176.29 55.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 1.078 . . . . 1.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -81.73 136.09 35.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 1.0 108.076 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.08 138.87 52.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 30' ' ' GLY . 4.3 t -53.11 132.43 50.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 1.0 108.289 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.63 -1.86 10.47 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.35 3.367 . . . . 1.0 109.622 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.22 -92.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.069 . . . . 1.0 109.269 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.1 p -49.64 -49.61 46.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 108.285 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 107.42 -9.95 38.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 1.0 111.042 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.09 163.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.61 0.829 . . . . 1.0 109.34 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -78.15 172.72 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 1.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -82.12 52.17 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -115.42 -39.41 3.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 1.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.64 -18.52 60.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 1.0 109.374 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -64.86 133.79 52.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 1.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -142.0 138.61 31.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 1' ' ' MET . 33.8 tttt -64.26 128.11 34.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.544 0.212 . . . . 1.0 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 0.5 OUTLIER 67.6 -165.58 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 1.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.762 ' CG2' HG23 ' A' ' 5' ' ' VAL . 1.2 mp -147.21 146.6 18.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 1.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -119.81 76.68 1.17 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.012 -0.995 . . . . 1.0 109.868 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.938 HG22 ' HG2' ' A' ' 12' ' ' GLU . 73.2 t -83.99 115.51 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 1.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 t -48.57 150.39 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 108.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.3 p -108.79 19.23 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 1.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 t -115.43 -53.34 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 1.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.4 p -108.91 -22.01 12.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 1.0 108.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.62 10.24 58.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 1.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.673 ' CZ ' ' HG3' ' A' ' 27' ' ' PRO . 14.4 t80 -40.25 158.64 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 118.868 -0.586 . . . . 1.0 109.853 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.938 ' HG2' HG22 ' A' ' 5' ' ' VAL . 2.3 mt-10 -126.26 125.56 42.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 1.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -102.1 160.67 14.31 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.816 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' ALA . 9.2 t70 -134.21 86.87 35.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.7 Cg_exo -34.05 93.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.338 3.359 . . . . 1.0 109.548 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 15' ' ' PRO . . . 177.77 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 1.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.24 -174.57 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -146.53 56.86 1.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 1.0 110.247 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' LEU . 9.8 t0 178.14 -67.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 109.237 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER 38.36 81.05 0.25 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 1.0 109.292 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.12 176.54 0.99 Allowed 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 124.276 3.317 . . . . 1.0 109.564 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.45 39.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.282 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -171.53 51.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.7 t90 -79.98 142.85 34.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 1.0 107.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.35 138.09 52.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 1.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.485 ' SG ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 t -53.04 133.04 49.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 108.242 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.673 ' HG3' ' CZ ' ' A' ' 11' ' ' TYR . 77.3 Cg_endo -70.45 -3.04 11.66 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.315 3.344 . . . . 1.0 109.595 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.12 -92.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 1.0 109.287 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.4 p -48.64 -51.83 26.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 1.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 26' ' ' CYS . . . 109.54 -11.77 33.01 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 1.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.44 161.81 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 1.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 p -74.3 170.01 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -80.92 53.25 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -112.9 -51.12 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.31 -21.68 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 1.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 32.9 m-85 -61.11 133.98 56.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.69 146.15 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -78.74 97.78 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 1.0 110.298 179.993 . . . . . . . . 1 1 . 1 stop_ save_